4BWT
Three-dimensional structure of Paracoccus pantotrophus pseudoazurin at pH 6.5
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 | C 1 2 1 |
Unit cell lengths | 107.280, 57.870, 67.100 |
Unit cell angles | 90.00, 125.99, 90.00 |
Refinement procedure
Resolution | 27.850 - 1.760 |
R-factor | 0.16801 |
Rwork | 0.166 |
R-free | 0.20631 |
Structure solution method | MOLECULAR REPLACEMENT |
Starting model (for MR) | 3erx |
RMSD bond length | 0.022 |
RMSD bond angle | 2.155 |
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] | 27.850 | 1.800 |
High resolution limit [Å] | 1.760 | 1.760 |
Rmerge | 0.060 | 0.160 |
Number of reflections | 32561 | |
<I/σ(I)> | 11.8 | 5.1 |
Completeness [%] | 98.5 | 97.4 |
Redundancy | 3.4 | 3.5 |
Crystallization Conditions
crystal ID | method | pH | temperature | details |
1 | 6.5 | 3.0 - 3.2 M AMMONIUM SULPHATE, 50 MM POTASSIUM PHOSPHATE PH 6.5 |