4AWP
Complex of HSP90 ATPase domain with tropane derived inhibitors
Experimental procedure
Experimental method | SINGLE WAVELENGTH |
Source type | SYNCHROTRON |
Source details | SSRL BEAMLINE BL9-2 |
Synchrotron site | SSRL |
Beamline | BL9-2 |
Temperature [K] | 93.2 |
Detector technology | CCD |
Collection date | 2006-11-30 |
Detector | MARRESEARCH |
Spacegroup name | P 1 |
Unit cell lengths | 44.307, 56.904, 57.457 |
Unit cell angles | 70.48, 87.20, 69.02 |
Refinement procedure
Resolution | 53.990 - 1.820 |
R-factor | 0.20719 |
Rwork | 0.205 |
R-free | 0.24561 |
Structure solution method | MOLECULAR REPLACEMENT |
Starting model (for MR) | IN-HOUSE APO STRUCTURE |
RMSD bond length | 0.019 |
RMSD bond angle | 1.672 |
Data reduction software | MOSFLM |
Data scaling software | SCALA |
Phasing software | PHASER |
Refinement software | REFMAC (5.2.0019) |
Data quality characteristics
Overall | Outer shell | |
Low resolution limit [Å] | 44.980 | 1.860 |
High resolution limit [Å] | 1.740 | 1.740 |
Rmerge | 0.180 | 0.750 |
Number of reflections | 39846 | |
<I/σ(I)> | 8.36 | 1.14 |
Completeness [%] | 78.7 | 27.5 |
Redundancy | 1.95 | 1.89 |
Crystallization Conditions
crystal ID | method | pH | temperature | details |
1 | 8 | pH 8 |