4B7P
Structure of HSP90 with NMS-E973 inhibitor bound
Experimental procedure
Experimental method | SINGLE WAVELENGTH |
Source type | SYNCHROTRON |
Source details | ESRF BEAMLINE ID23-2 |
Synchrotron site | ESRF |
Beamline | ID23-2 |
Temperature [K] | 100 |
Detector technology | CCD |
Collection date | 2009-02-12 |
Detector | MARMOSAIC 225 mm CCD |
Spacegroup name | P 1 21 1 |
Unit cell lengths | 52.746, 44.042, 53.621 |
Unit cell angles | 90.00, 115.59, 90.00 |
Refinement procedure
Resolution | 30.340 - 1.700 |
R-factor | 0.17549 |
Rwork | 0.174 |
R-free | 0.19720 |
Structure solution method | MOLECULAR REPLACEMENT |
RMSD bond length | 0.014 |
RMSD bond angle | 1.866 |
Data reduction software | DENZO |
Data scaling software | SCALEPACK |
Refinement software | REFMAC (5.6.0117) |
Data quality characteristics
Overall | Outer shell | |
Low resolution limit [Å] | 30.000 | 1.800 |
High resolution limit [Å] | 1.700 | 1.700 |
Rmerge | 0.040 | 0.200 |
Number of reflections | 24199 | |
<I/σ(I)> | 17 | |
Completeness [%] | 98.3 | 96.9 |
Redundancy | 4 |
Crystallization Conditions
crystal ID | method | pH | temperature | details |
1 |