5LO5
HSP90 WITH indole 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 | 2009-05-20 |
Detector | DECTRIS PILATUS 2M |
Wavelength(s) | 1.0 |
Spacegroup name | I 2 2 2 |
Unit cell lengths | 67.600, 90.893, 98.469 |
Unit cell angles | 90.00, 90.00, 90.00 |
Refinement procedure
Resolution | 70.000 - 1.440 |
Rwork | 0.188 |
R-free | 0.20300 |
Structure solution method | MOLECULAR REPLACEMENT |
Starting model (for MR) | 4eeh |
Data reduction software | XDS |
Data scaling software | XDS |
Phasing software | MOLREP |
Refinement software | CNX |
Data quality characteristics
Overall | Outer shell | |
Low resolution limit [Å] | 70.000 | 1.520 |
High resolution limit [Å] | 1.440 | 1.440 |
Rmerge | 0.048 | 0.567 |
Number of reflections | 55284 | |
<I/σ(I)> | 21.52 | 2.76 |
Completeness [%] | 99.2 | 95.5 |
Redundancy | 5 |
Crystallization Conditions
crystal ID | method | pH | temperature | details |
1 | VAPOR DIFFUSION, SITTING DROP | 5.5 | 277 | 0.1 M Bis Tris pH 5.5, 0.2 M Ammonium actetate, 25 % PEG 3350 |