3WHA
Hsp90 alpha N-terminal domain in complex with a tricyclic inhibitor
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) | 1.000 |
| Spacegroup name | C 1 2 1 |
| Unit cell lengths | 107.170, 98.920, 64.240 |
| Unit cell angles | 90.00, 124.55, 90.00 |
Refinement procedure
| Resolution | 44.130 - 1.300 |
| R-factor | 0.185 |
| Rwork | 0.184 |
| R-free | 0.20030 |
| Structure solution method | MOLECULAR REPLACEMENT |
| Starting model (for MR) | 3b28 |
| RMSD bond length | 0.010 |
| RMSD bond angle | 1.090 |
| Data reduction software | XDS |
| Data scaling software | SCALA (3.3.16) |
| Phasing software | PHASER (2.1.4) |
| Refinement software | BUSTER-TNT |
Data quality characteristics
| Overall | Inner shell | Outer shell | |
| Low resolution limit [Å] | 44.134 | 44.130 | 1.330 |
| High resolution limit [Å] | 1.300 | 5.810 | 1.300 |
| Rmerge | 0.044 | 0.030 | 0.330 |
| Total number of observations | 5561 | 32305 | |
| Number of reflections | 133172 | ||
| <I/σ(I)> | 14.5 | ||
| Completeness [%] | 98.7 | 97.14 | 98.64 |
| Redundancy | 3.3 | 3.66 | 3.29 |
Crystallization Conditions
| crystal ID | method | pH | temperature | details |
| 1 | VAPOR DIFFUSION, SITTING DROP | 6.5 | 278 | 22%(w/v) PEG 3350, 0.2M MgCl2, 0.1M Na-MES, pH 6.5, vapor diffusion, sitting drop, temperature 278K |
