6U98
Hsp90a NTD K58R bound reversibly to sulfonyl fluoride 6
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 | 2018-10-05 |
| Detector | DECTRIS PILATUS3 S 6M |
| Wavelength(s) | 1.11583 |
| Spacegroup name | I 2 2 2 |
| Unit cell lengths | 66.590, 91.065, 98.946 |
| Unit cell angles | 90.00, 90.00, 90.00 |
Refinement procedure
| Resolution | 67.010 - 1.500 |
| R-factor | 0.1798 |
| Rwork | 0.179 |
| R-free | 0.20460 |
| Structure solution method | MOLECULAR REPLACEMENT |
| Starting model (for MR) | 2fwz |
| RMSD bond length | 0.006 |
| RMSD bond angle | 1.093 |
| Data scaling software | Aimless |
| Phasing software | PHASER |
| Refinement software | PHENIX (1.13_2998) |
Data quality characteristics
| Overall | Outer shell | |
| Low resolution limit [Å] | 67.010 | 1.554 |
| High resolution limit [Å] | 1.500 | 1.500 |
| Rmerge | 0.017 | 0.165 |
| Number of reflections | 48393 | 4736 |
| <I/σ(I)> | 27.52 | 4.27 |
| Completeness [%] | 99.9 | 99.75 |
| Redundancy | 2 | 2 |
Crystallization Conditions
| crystal ID | method | pH | temperature | details |
| 1 | VAPOR DIFFUSION, HANGING DROP | 293 | 20% PEG-3350, 0.2 M MgCl2, 0.1 M HEPES pH 7.5 |
