5LRL
CRYSTAL STRUCTURE OF HSP90 IN COMPLEX WITH A003492875
Experimental procedure
Experimental method | SINGLE WAVELENGTH |
Source type | SYNCHROTRON |
Source details | ESRF BEAMLINE ID14-2 |
Synchrotron site | ESRF |
Beamline | ID14-2 |
Temperature [K] | 100 |
Detector technology | CCD |
Collection date | 2005-06-23 |
Detector | ADSC QUANTUM 4r |
Wavelength(s) | 0.934 |
Spacegroup name | I 2 2 2 |
Unit cell lengths | 66.460, 90.700, 98.530 |
Unit cell angles | 90.00, 90.00, 90.00 |
Refinement procedure
Resolution | 18.730 - 1.330 |
R-factor | 0.175 |
Rwork | 0.174 |
R-free | 0.18900 |
Structure solution method | MOLECULAR REPLACEMENT |
Starting model (for MR) | 2yjx |
RMSD bond length | 0.010 |
RMSD bond angle | 1.050 |
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] | 66.730 | 1.400 |
High resolution limit [Å] | 1.330 | 1.330 |
Rmerge | 0.387 | |
Number of reflections | 63093 | |
<I/σ(I)> | 20.7 | 2.2 |
Completeness [%] | 91.8 | 90.1 |
Redundancy | 4.6 | 2.5 |
CC(1/2) | 0.839 |
Crystallization Conditions
crystal ID | method | pH | temperature | details |
1 | VAPOR DIFFUSION, HANGING DROP | 277 | 1.0 - 1.4M Sodium Citrate |