4BXV
Three-dimensional structure of the mutant K109A of Paracoccus pantotrophus pseudoazurin at pH 7.0
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 1 21 1 |
Unit cell lengths | 41.310, 71.720, 91.700 |
Unit cell angles | 90.00, 90.00, 90.00 |
Refinement procedure
Resolution | 28.247 - 1.760 |
R-factor | 0.2782 |
Rwork | 0.275 |
R-free | 0.31690 |
Structure solution method | MOLECULAR REPLACEMENT |
Starting model (for MR) | 3erx |
RMSD bond length | 0.008 |
RMSD bond angle | 1.218 |
Data reduction software | iMOSFLM |
Data scaling software | Aimless |
Phasing software | PHASER |
Refinement software | PHENIX ((PHENIX.REFINE)) |
Data quality characteristics
Overall | Outer shell | |
Low resolution limit [Å] | 28.250 | 1.800 |
High resolution limit [Å] | 1.760 | 1.760 |
Rmerge | 0.080 | 0.020 |
Number of reflections | 52635 | |
<I/σ(I)> | 3.6 | 5.6 |
Completeness [%] | 99.2 | 96.8 |
Redundancy | 3.6 | 3.2 |
Crystallization Conditions
crystal ID | method | pH | temperature | details |
1 | 7 | 3.0-3.2 M AMMONIUM SULFATE, 50 MM POTASSIUM PHOSPHATE PH 7.0 |