5LNZ
HSP90 WITH indazole derivative
Experimental procedure
Experimental method | SINGLE WAVELENGTH |
Source type | SYNCHROTRON |
Source details | NSLS BEAMLINE X1A |
Synchrotron site | NSLS |
Beamline | X1A |
Temperature [K] | 100 |
Detector technology | PIXEL |
Collection date | 2009-08-20 |
Detector | DECTRIS PILATUS 2M |
Wavelength(s) | 1.000 |
Spacegroup name | I 2 2 2 |
Unit cell lengths | 68.134, 91.107, 99.074 |
Unit cell angles | 90.00, 90.00, 90.00 |
Refinement procedure
Resolution | 49.510 - 1.540 |
R-factor | 0.173 |
Rwork | 0.172 |
R-free | 0.19800 |
Structure solution method | MOLECULAR REPLACEMENT |
Starting model (for MR) | 4eeh |
RMSD bond length | 0.010 |
RMSD bond angle | 1.040 |
Data reduction software | XDS |
Data scaling software | XDS |
Phasing software | PHASER |
Refinement software | BUSTER (2.11.6) |
Data quality characteristics
Overall | Outer shell | |
Low resolution limit [Å] | 70.000 | 1.630 |
High resolution limit [Å] | 1.540 | 1.540 |
Number of reflections | 45355 | |
<I/σ(I)> | 12.42 | 1.85 |
Completeness [%] | 98.1 | 89.1 |
Redundancy | 5.56 |
Crystallization Conditions
crystal ID | method | pH | temperature | details |
1 | VAPOR DIFFUSION, SITTING DROP | 7.5 | 277 | 28% PEG 400, 0.1 M Na Hepes pH 7.5, 0.2 M Calcium Chloride |