5LO1
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 | 65.860, 92.360, 97.110 |
Unit cell angles | 90.00, 90.00, 90.00 |
Refinement procedure
Resolution | 48.550 - 2.700 |
R-factor | 0.234 |
Rwork | 0.233 |
R-free | 0.24600 |
RMSD bond length | 0.010 |
RMSD bond angle | 1.190 |
Data reduction software | d*TREK |
Data scaling software | d*TREK |
Phasing software | MOLREP |
Refinement software | BUSTER (2.11.6) |
Data quality characteristics
Overall | Outer shell | |
Low resolution limit [Å] | 48.550 | 2.760 |
High resolution limit [Å] | 2.670 | 2.670 |
Number of reflections | 8553 | |
<I/σ(I)> | 17.2 | 2.9 |
Completeness [%] | 97.6 | 77.6 |
Redundancy | 5.9 |
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 |