6HWS
Keap1 - inhibitor complex
Experimental procedure
| Experimental method | SINGLE WAVELENGTH |
| Source type | SYNCHROTRON |
| Source details | DIAMOND BEAMLINE I03 |
| Synchrotron site | Diamond |
| Beamline | I03 |
| Temperature [K] | 80 |
| Detector technology | PIXEL |
| Collection date | 2017-07-28 |
| Detector | DECTRIS PILATUS 6M-F |
| Wavelength(s) | 0.976 |
| Spacegroup name | C 1 2 1 |
| Unit cell lengths | 125.960, 75.740, 48.880 |
| Unit cell angles | 90.00, 106.43, 90.00 |
Refinement procedure
| Resolution | 60.408 - 1.750 |
| R-factor | 0.1554 |
| Rwork | 0.154 |
| R-free | 0.18880 |
| Structure solution method | MOLECULAR REPLACEMENT |
| Starting model (for MR) | 1zgk |
| RMSD bond length | 0.010 |
| RMSD bond angle | 1.106 |
| Data reduction software | iMOSFLM |
| Data scaling software | SCALA |
| Phasing software | PHASER |
| Refinement software | PHENIX ((1.13_2998: ???)) |
Data quality characteristics
| Overall | Outer shell | |
| Low resolution limit [Å] | 65.000 | 1.840 |
| High resolution limit [Å] | 1.750 | 1.750 |
| Rmerge | 0.097 | 0.608 |
| Number of reflections | 43651 | 6314 |
| <I/σ(I)> | 9 | 2.1 |
| Completeness [%] | 98.4 | 97.6 |
| Redundancy | 4.1 | 4 |
Crystallization Conditions
| crystal ID | method | pH | temperature | details |
| 1 | VAPOR DIFFUSION, HANGING DROP | 7 | 291 | 3.5 M Sodium Formate, pH 7.0 |
