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 |