6ZEX
Keap1 kelch domain bound to a small molecule fragment
Experimental procedure
Experimental method | SINGLE WAVELENGTH |
Source type | SYNCHROTRON |
Source details | ESRF BEAMLINE MASSIF-3 |
Synchrotron site | ESRF |
Beamline | MASSIF-3 |
Temperature [K] | 100 |
Detector technology | PIXEL |
Collection date | 2018-07-02 |
Detector | DECTRIS EIGER X 4M |
Wavelength(s) | 0.9677 |
Spacegroup name | P 61 |
Unit cell lengths | 104.094, 104.094, 54.835 |
Unit cell angles | 90.00, 90.00, 120.00 |
Refinement procedure
Resolution | 34.070 - 1.980 |
R-factor | 0.1971 |
Rwork | 0.195 |
R-free | 0.23230 |
Structure solution method | MOLECULAR REPLACEMENT |
Starting model (for MR) | 5fnu |
RMSD bond length | 0.012 |
RMSD bond angle | 1.039 |
Data reduction software | XDS (v Jan 26, 2018) |
Data scaling software | XDS (v Jan 26, 2018) |
Phasing software | PHASER (1.13_2998) |
Refinement software | PHENIX (1.13_2998) |
Data quality characteristics
Overall | Outer shell | |
Low resolution limit [Å] | 34.070 | 2.051 |
High resolution limit [Å] | 1.980 | 1.980 |
Rmerge | 0.111 | 1.579 |
Rmeas | 0.115 | 1.685 |
Rpim | 0.031 | 0.578 |
Number of reflections | 23735 | 2360 |
<I/σ(I)> | 15.06 | 1.17 |
Completeness [%] | 99.8 | 99.37 |
Redundancy | 13.8 | 8.3 |
CC(1/2) | 0.999 | 0.506 |
Crystallization Conditions
crystal ID | method | pH | temperature | details |
1 | VAPOR DIFFUSION, HANGING DROP | 5.6 | 293 | 0.5 M Ammonium sulfate, 0.1 M Sodium citrate tribasic dihydrate pH 5.6 and 1.0 M Lithium sulfate monohydrate |