6A4X
Oxidase ChaP-H2
Experimental procedure
Experimental method | SINGLE WAVELENGTH |
Source type | SYNCHROTRON |
Source details | SSRF BEAMLINE BL18U1 |
Synchrotron site | SSRF |
Beamline | BL18U1 |
Temperature [K] | 100 |
Detector technology | PIXEL |
Collection date | 2018-04-01 |
Detector | DECTRIS EIGER X 16M |
Wavelength(s) | 0.97916 |
Spacegroup name | P 41 21 2 |
Unit cell lengths | 76.870, 76.870, 47.170 |
Unit cell angles | 90.00, 90.00, 90.00 |
Refinement procedure
Resolution | 40.200 - 1.630 |
R-factor | 0.187 |
Rwork | 0.186 |
R-free | 0.21270 |
Structure solution method | MOLECULAR REPLACEMENT |
Starting model (for MR) | 6a4z |
Data reduction software | TRUNCATE |
Data scaling software | Aimless |
Phasing software | PHASER |
Refinement software | PHENIX (1.13_2998) |
Data quality characteristics
Overall | Inner shell | Outer shell | |
Low resolution limit [Å] | 40.200 | 40.200 | 1.660 |
High resolution limit [Å] | 1.630 | 8.930 | 1.630 |
Rmerge | 0.072 | 0.050 | 0.907 |
Rmeas | 0.078 | 0.056 | 0.977 |
Rpim | 0.029 | 0.026 | 0.356 |
Total number of observations | 127616 | 840 | 6246 |
Number of reflections | 18139 | 145 | 866 |
<I/σ(I)> | 13 | 33 | 2.1 |
Completeness [%] | 99.7 | 99.4 | 99.9 |
Redundancy | 7 | 5.8 | 7.2 |
CC(1/2) | 0.996 | 0.980 | 0.754 |
Crystallization Conditions
crystal ID | method | pH | temperature | details |
1 | VAPOR DIFFUSION, SITTING DROP | 5.6 | 295.15 | ammonium acetate, sodium citrate tribasic dihydrate, PEG 4000 |