5LRZ
CRYSTAL STRUCTURE OF HSP90 IN COMPLEX WITH A003643501
Experimental procedure
| Experimental method | SINGLE WAVELENGTH |
| Source type | SYNCHROTRON |
| Source details | ESRF BEAMLINE ID14-1 |
| Synchrotron site | ESRF |
| Beamline | ID14-1 |
| Temperature [K] | 100 |
| Detector technology | CCD |
| Collection date | 2006-11-16 |
| Detector | ADSC QUANTUM 4r |
| Wavelength(s) | 0.934 |
| Spacegroup name | I 2 2 2 |
| Unit cell lengths | 66.537, 89.972, 98.206 |
| Unit cell angles | 90.00, 90.00, 90.00 |
Refinement procedure
| Resolution | 29.740 - 2.000 |
| R-factor | 0.199 |
| Rwork | 0.197 |
| R-free | 0.24900 |
| Structure solution method | MOLECULAR REPLACEMENT |
| Starting model (for MR) | 2yk2 |
| RMSD bond length | 0.010 |
| RMSD bond angle | 1.070 |
| Data reduction software | XDS |
| Data scaling software | Aimless |
| Phasing software | PHASER |
| Refinement software | BUSTER (2.11.7) |
Data quality characteristics
| Overall | Outer shell | |
| Low resolution limit [Å] | 36.200 | 1.950 |
| High resolution limit [Å] | 1.910 | 1.910 |
| Rmerge | 0.789 | |
| Number of reflections | 23232 | |
| <I/σ(I)> | 28.2 | 2.5 |
| Completeness [%] | 99.2 | 93.8 |
| Redundancy | 7.3 | 6.6 |
| CC(1/2) | 0.816 |
Crystallization Conditions
| crystal ID | method | pH | temperature | details |
| 1 | VAPOR DIFFUSION, HANGING DROP | 277 | 1.0 to 1.4 M Sodium Citrate |
