The most recent release of the HKL-3000 program distributed by HKL Research is version 723.
- PDB sequence search was updated to allow a search for Alphafold models. An Alphafold model can be downloaded and used in MR,
- PDB cell dimensions search was updated,
- reflections intensity is monitored after scaling and, in case it is too low or too high, data are re-scaled automatically with an updated default scale,
- model and map display with Coot in HKL-3000sm was corrected,
- SAD / MAD phasing - loading sites from the PDB file was added,
- model refinement - the report was expanded.
HKL-3000 users who have obtained their licenses directly from HKL Research can download the installer for the latest version from our server.
HKL-3000R users should contact Rigaku for information about the latest version available to them.
Reference to HKL-3000 Installation Hardware & OS
HKL-3000 interacts with many widely used programs such as CCP4, SOLVE, RESOLVE, MLPHARE, SHELXD and SHELXE, ARP/wARP, DM, MOLREP, REFMAC, and MolProbity. These programs must be obtained directly from their respective authors or distributors.
CCP4: Collaborative Computational Project, Number 4 (1994). Acta Cryst. D50, 760-763
SOLVE: Terwilliger, T. C. & Berendzen, J. (1999). Acta Cryst. D55, 849-861.
RESOLVE: Terwilliger, T. C. (2004).J. Synchrotron Rad. 11, 49-52.
MLPHARE: Otwinowski, Z. (1991). Proceedings of the CCP4 Study Weekend. Isomorphous Replacement and Anomalous Scattering, edited by W. Wolf, P. R. Evans & A. G. W. Leslie, pp. 80-86. Warrington: Daresbury Laboratory.
SHELXD: Schneider, T. R. & Scheldrick, G.M. (2002). Acta Cryst. D58, 1772-1779.
SHELXE: Scheldrick, G. M. (2002). Z. Kristallogr. 217, 644-650.
ARP/wARP: Perrakis, A., Morris, R. & Lamzin, V. S. (1999). Nature Struct. Biol. 6, 458-463.
DM: Cowtan, K. (2001). Acta Cryst. D57, 1435-1444. Cowtan, K. & Main, P. (1998). Acta Cryst. D54, 487-493. Cowtan, K. D. & Zhang, K. Y. (1999). Prog. Biophys. Mol. Biol. 72, 245-270.
MOLREP: Vagin, A. A. & Teplyakov, A. (1997). J. Appl. Cryst. 30, 1022-1025. Vaguine, A. A., Richelle, J., Wodak, S. J. (1999). Acta Cryst. D55, 191-205.
REFMAC: Murshudov, G. N., Vagin, A. A. & D odson, E. J. (1997). Acta Cryst. D53, 240-255.
MolProbity: Vincent B. Chen, W. Bryan Arendall III, Jeffrey J. Headd, Daniel A. Keedy, Robert M. Immormino, Gary J. Kapral, Laura W. Murray, Jane S. Richardson, and David C. Richardson (2010) MolProbity: all-atom structure validation for macromolecular crystallography. Acta Crystallographica D66: 12-21. Ian W. Davis, Andrew Leaver-Fay, Vincent B. Chen, Jeremy N. Block, Gary J. Kapral, Xueyi Wang, Laura W. Murray, W. Bryan Arendall III, Jack Snoeyink, Jane S. Richardson and David C. Richardson (2007) MolProbity: all-atom contacts and structure validation for proteins and nucleic acids. Nucleic Acids Research 35: Web Server issue, W375-W383.