4BWU
Three-dimensional structure of the K109A mutant of Paracoccus pantotrophus pseudoazurin at pH 5.5
Experimental procedure
Experimental method | SINGLE WAVELENGTH |
Source type | SYNCHROTRON |
Source details | ESRF BEAMLINE ID14-2 |
Synchrotron site | ESRF |
Beamline | ID14-2 |
Temperature [K] | 100 |
Detector technology | CCD |
Detector | ADSC QUANTUM 4 |
Spacegroup name | P 2 21 21 |
Unit cell lengths | 49.850, 66.170, 68.630 |
Unit cell angles | 90.00, 90.00, 90.00 |
Refinement procedure
Resolution | 29.820 - 1.760 |
R-factor | 0.15185 |
Rwork | 0.149 |
R-free | 0.20743 |
Structure solution method | MOLECULAR REPLACEMENT |
Starting model (for MR) | 3erx |
RMSD bond length | 0.018 |
RMSD bond angle | 2.070 |
Data reduction software | iMOSFLM |
Data scaling software | Aimless |
Phasing software | PHASER |
Refinement software | REFMAC (5.7.0032) |
Data quality characteristics
Overall | Outer shell | |
Low resolution limit [Å] | 29.800 | 1.800 |
High resolution limit [Å] | 1.760 | 1.760 |
Rmerge | 0.080 | 0.400 |
Number of reflections | 23180 | |
<I/σ(I)> | 23.3 | 6.1 |
Completeness [%] | 100.0 | 100 |
Redundancy | 13.9 | 12.7 |
Crystallization Conditions
crystal ID | method | pH | temperature | details |
1 | 5.5 | 3.0 - 3.2 M AMMONIUM SULPHATE, 50 MM POTASSIUM PHOSPHATE AT PH 5.5 |