5LR1
CRYSTAL STRUCTURE OF HSP90 IN COMPLEX WITH A003498614A.
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 | 2005-10-24 |
Detector | ADSC QUANTUM 315 |
Wavelength(s) | 0.9393 |
Spacegroup name | I 2 2 2 |
Unit cell lengths | 66.540, 90.680, 98.230 |
Unit cell angles | 90.00, 90.00, 90.00 |
Refinement procedure
Resolution | 19.760 - 1.440 |
R-factor | 0.2 |
Rwork | 0.199 |
R-free | 0.22000 |
Structure solution method | MOLECULAR REPLACEMENT |
Starting model (for MR) | 2yjx |
RMSD bond length | 0.010 |
RMSD bond angle | 1.040 |
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] | 45.340 | 1.460 |
High resolution limit [Å] | 1.440 | 1.440 |
Rmerge | 0.349 | |
Number of reflections | 53831 | |
<I/σ(I)> | 20 | 3.6 |
Completeness [%] | 99.3 | 90.3 |
Redundancy | 3.6 | 3.4 |
CC(1/2) | 0.854 |
Crystallization Conditions
crystal ID | method | pH | temperature | details |
1 | VAPOR DIFFUSION, HANGING DROP | 277 | 1.0 to 1.4 M Sodium Citrate |