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 |