5LO6
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 | 2008-12-17 |
Detector | DECTRIS PILATUS 2M |
Wavelength(s) | 1.0 |
Spacegroup name | I 2 2 2 |
Unit cell lengths | 67.760, 91.210, 99.270 |
Unit cell angles | 90.00, 90.00, 90.00 |
Refinement procedure
Resolution | 49.630 - 2.400 |
R-factor | 0.193 |
Rwork | 0.192 |
R-free | 0.21700 |
Structure solution method | MOLECULAR REPLACEMENT |
Starting model (for MR) | 4eeh |
RMSD bond length | 0.010 |
RMSD bond angle | 1.150 |
Data reduction software | XDS |
Data scaling software | XDS |
Phasing software | MOLREP |
Refinement software | BUSTER (2.11.6) |
Data quality characteristics
Overall | Outer shell | |
Low resolution limit [Å] | 49.630 | |
High resolution limit [Å] | 2.400 | 2.400 |
Rmerge | 0.041 | 0.422 |
Number of reflections | 12350 | |
<I/σ(I)> | 18.3 | |
Completeness [%] | 93.8 | |
Redundancy | 4 |
Crystallization Conditions
crystal ID | method | pH | temperature | details |
1 | VAPOR DIFFUSION, HANGING DROP | 6.5 | 277 | Bis-Tris Propan, pH 6.5, 22% PEG 3350, 0.2M NaF |