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 |
