6Q7O
Crystal structure of OE1
Experimental procedure
Experimental method | SINGLE WAVELENGTH |
Source type | SYNCHROTRON |
Source details | DIAMOND BEAMLINE I04-1 |
Synchrotron site | Diamond |
Beamline | I04-1 |
Temperature [K] | 100 |
Detector technology | PIXEL |
Collection date | 2018-09-09 |
Detector | DECTRIS PILATUS3 S 6M |
Wavelength(s) | 0.916 |
Spacegroup name | P 1 21 1 |
Unit cell lengths | 34.110, 70.530, 52.820 |
Unit cell angles | 90.00, 104.24, 90.00 |
Refinement procedure
Resolution | 41.430 - 2.000 |
R-factor | 0.1939 |
Rwork | 0.192 |
R-free | 0.22820 |
Structure solution method | MOLECULAR REPLACEMENT |
Starting model (for MR) | 2uw6 |
RMSD bond length | 0.002 |
RMSD bond angle | 0.506 |
Data reduction software | xia2 |
Data scaling software | xia2 |
Phasing software | PHASER |
Refinement software | PHENIX (dev_3304) |
Data quality characteristics
Overall | Outer shell | |
Low resolution limit [Å] | 41.430 | 2.072 |
High resolution limit [Å] | 2.000 | 2.000 |
Rmerge | 0.061 | 0.564 |
Rmeas | 0.072 | |
Rpim | 0.039 | 0.360 |
Number of reflections | 16357 | 1603 |
<I/σ(I)> | 11.5 | 2.04 |
Completeness [%] | 99.4 | 99.38 |
Redundancy | 3.3 | 3.4 |
CC(1/2) | 0.990 | 0.940 |
Crystallization Conditions
crystal ID | method | pH | temperature | details |
1 | VAPOR DIFFUSION, SITTING DROP | 277 | 0.2 M sodium acetate trihydrate, 0.1 M Tris pH 8.5, 30 % w/v PEG 4000 |