6U9B
Hsp90a NTD covalently bound to sulfonyl fluoride 5 at K58
Experimental procedure
| Experimental method | SINGLE WAVELENGTH |
| Source type | SYNCHROTRON |
| Source details | ALS BEAMLINE 8.3.1 |
| Synchrotron site | ALS |
| Beamline | 8.3.1 |
| Temperature [K] | 100 |
| Detector technology | PIXEL |
| Collection date | 2018-05-04 |
| Detector | DECTRIS PILATUS3 S 6M |
| Wavelength(s) | 1.11583 |
| Spacegroup name | I 2 2 2 |
| Unit cell lengths | 66.564, 92.305, 99.323 |
| Unit cell angles | 90.00, 90.00, 90.00 |
Refinement procedure
| Resolution | 67.610 - 1.750 |
| R-factor | 0.1942 |
| Rwork | 0.192 |
| R-free | 0.22190 |
| Structure solution method | MOLECULAR REPLACEMENT |
| Starting model (for MR) | 2fwz |
| RMSD bond length | 0.011 |
| RMSD bond angle | 1.340 |
| Data scaling software | Aimless |
| Phasing software | PHASER |
| Refinement software | PHENIX (1.13_2998) |
Data quality characteristics
| Overall | Outer shell | |
| Low resolution limit [Å] | 67.610 | 1.813 |
| High resolution limit [Å] | 1.750 | 1.750 |
| Rmerge | 0.036 | 0.540 |
| Number of reflections | 30142 | 3057 |
| <I/σ(I)> | 8.34 | 1.14 |
| Completeness [%] | 93.8 | 99.54 |
| Redundancy | 1.9 | 1.9 |
Crystallization Conditions
| crystal ID | method | pH | temperature | details |
| 1 | VAPOR DIFFUSION, HANGING DROP | 293 | 20% PEG-3350, 0.2 M MgCl2, 0.1 M sodium acetate, pH 5.6 |
