6MJS
Azurin 122W/124W/126Re
Experimental procedure
Experimental method | SINGLE WAVELENGTH |
Source type | SYNCHROTRON |
Source details | SSRL BEAMLINE BL12-2 |
Synchrotron site | SSRL |
Beamline | BL12-2 |
Temperature [K] | 100 |
Detector technology | PIXEL |
Collection date | 2011-05-06 |
Detector | DECTRIS PILATUS 2M |
Wavelength(s) | 1.00 |
Spacegroup name | C 2 2 21 |
Unit cell lengths | 53.072, 221.563, 89.996 |
Unit cell angles | 90.00, 90.00, 90.00 |
Refinement procedure
Resolution | 34.926 - 1.850 |
R-factor | 0.1702 |
Rwork | 0.169 |
R-free | 0.19780 |
Structure solution method | MOLECULAR REPLACEMENT |
Starting model (for MR) | 4azu |
RMSD bond length | 0.012 |
RMSD bond angle | 1.416 |
Data reduction software | XDS |
Data scaling software | SCALA (3.3.20) |
Phasing software | PHASER |
Refinement software | PHENIX ((phenix.refine: 1.8.1_1168)) |
Data quality characteristics
Overall | Inner shell | Outer shell | |
Low resolution limit [Å] | 34.926 | 34.926 | 1.950 |
High resolution limit [Å] | 1.850 | 5.850 | 1.850 |
Rmerge | 0.041 | 0.848 | |
Rmeas | 0.089 | 0.049 | 1.006 |
Rpim | 0.048 | 0.026 | 0.534 |
Total number of observations | 145966 | 4494 | 21813 |
Number of reflections | 44003 | 1486 | 6369 |
<I/σ(I)> | 8.3 | 20 | 1.4 |
Completeness [%] | 96.2 | 93.6 | 96.3 |
Redundancy | 3.3 | 3 | 3.4 |
Crystallization Conditions
crystal ID | method | pH | temperature | details |
1 | VAPOR DIFFUSION | 7.2 | 294 | 100 mM imidiazole, 100 mM LiNO3, 6.25 mM CuCl2, 28% PEG 4000 |