3B28
Hsp90 alpha N-terminal domain in complex with an inhibitor CH5015765
Experimental procedure
| Experimental method | SINGLE WAVELENGTH |
| Source type | SYNCHROTRON |
| Source details | SLS BEAMLINE X10SA |
| Synchrotron site | SLS |
| Beamline | X10SA |
| Temperature [K] | 100 |
| Detector technology | PIXEL |
| Collection date | 2010-07-22 |
| Detector | DECTRIS PILATUS 6M |
| Wavelength(s) | 1.0000 |
| Spacegroup name | C 1 2 1 |
| Unit cell lengths | 106.980, 98.810, 64.180 |
| Unit cell angles | 90.00, 124.43, 90.00 |
Refinement procedure
| Resolution | 35.440 - 1.350 |
| R-factor | 0.1636 |
| Rwork | 0.163 |
| R-free | 0.18060 |
| Structure solution method | MOLECULAR REPLACEMENT |
| RMSD bond length | 0.010 |
| RMSD bond angle | 1.110 |
| Data reduction software | XDS |
| Data scaling software | SCALA (CCP4_3.3.16 2010/01/06) |
| Phasing software | PHASER |
| Refinement software | BUSTER (2.9.7) |
Data quality characteristics
| Overall | Inner shell | Outer shell | |
| Low resolution limit [Å] | 35.440 | 35.440 | 1.390 |
| High resolution limit [Å] | 1.350 | 6.040 | 1.350 |
| Rmerge | 0.030 | 0.290 | |
| Rmeas | 0.040 | 0.390 | |
| Total number of observations | 2531 | 14344 | |
| Number of reflections | 108846 | ||
| <I/σ(I)> | 12.5 | ||
| Completeness [%] | 90.8 | 85.03 | 90.23 |
| Redundancy | 1.8 | 2.14 | 1.8 |
Crystallization Conditions
| crystal ID | method | pH | temperature | details |
| 1 | VAPOR DIFFUSION, HANGING DROP | 6.5 | 278 | 22%(w/v) PEG2000 MME, 0.2M MgCl2, 0.1M MES-Na, pH 6.5, vapor diffusion, hanging drop, temperature 278K |
