4IO8
Crystal structure of human HSP70 complexed with 4-{(2R,3S,4R)-5-[(R)-6-Amino-8-(3,4-dichloro-benzylamino)-purin-9-yl]-3,4-dihydroxy-tetrahydro-furan-2-ylmethoxymethyl}-benzonitrile
Experimental procedure
| Experimental method | SINGLE WAVELENGTH |
| Source type | SYNCHROTRON |
| Source details | SLS BEAMLINE X06SA |
| Synchrotron site | SLS |
| Beamline | X06SA |
| Temperature [K] | 100 |
| Detector technology | PIXEL |
| Collection date | 2010-05-02 |
| Detector | PSI PILATUS 6M |
| Wavelength(s) | 1.00000 |
| Spacegroup name | P 1 21 1 |
| Unit cell lengths | 58.680, 53.973, 70.796 |
| Unit cell angles | 90.00, 101.07, 90.00 |
Refinement procedure
| Resolution | 42.620 - 2.580 |
| R-factor | 0.1721 |
| Rwork | 0.169 |
| R-free | 0.22160 |
| Structure solution method | MOLECULAR REPLACEMENT |
| Starting model (for MR) | 1s3x |
| RMSD bond length | 0.010 |
| RMSD bond angle | 1.090 |
| Data reduction software | XDS |
| Data scaling software | XSCALE |
| Phasing software | MOLREP |
| Refinement software | BUSTER (2.11.4) |
Data quality characteristics
| Overall | |
| Low resolution limit [Å] | 42.620 |
| High resolution limit [Å] | 2.580 |
| Rmerge | 0.011 |
| Number of reflections | 12776 |
| <I/σ(I)> | 10.1 |
| Completeness [%] | 92.3 |
| Redundancy | 2.8 |
Crystallization Conditions
| crystal ID | method | pH | temperature | details |
| 1 | VAPOR DIFFUSION, HANGING DROP | 9 | 277 | 0.1 M Tris HCl, 22% PEG 10000, 0.1 M NaCl, 20% Glycerol, pH 9.0, VAPOR DIFFUSION, HANGING DROP, temperature 277K |
