3ERX
High-resolution structure of Paracoccus pantotrophus pseudoazurin
Experimental procedure
Experimental method | SINGLE WAVELENGTH |
Source type | SYNCHROTRON |
Source details | ESRF BEAMLINE ID23-1 |
Synchrotron site | ESRF |
Beamline | ID23-1 |
Temperature [K] | 100 |
Detector technology | CCD |
Collection date | 2006-03-09 |
Detector | ADSC QUANTUM 315 |
Wavelength(s) | 0.95370 |
Spacegroup name | C 1 2 1 |
Unit cell lengths | 108.823, 56.993, 67.982 |
Unit cell angles | 90.00, 126.22, 90.00 |
Refinement procedure
Resolution | 54.880 - 1.250 |
R-factor | 0.1892 |
Rwork | 0.188 |
R-free | 0.20584 |
Structure solution method | MOLECULAR REPLACEMENT |
Starting model (for MR) | 1adw |
RMSD bond length | 0.007 |
RMSD bond angle | 1.198 |
Data reduction software | MOSFLM |
Data scaling software | SCALA |
Phasing software | PHASER |
Refinement software | REFMAC (5.2.0019) |
Data quality characteristics
Overall | Outer shell | |
Low resolution limit [Å] | 54.880 | 1.320 |
High resolution limit [Å] | 1.250 | 1.250 |
Rmerge | 0.056 | 0.280 |
Number of reflections | 73293 | |
<I/σ(I)> | 16.3 | 2.2 |
Completeness [%] | 79.2 | 31.2 |
Redundancy | 3.3 | 2.1 |
Crystallization Conditions
crystal ID | method | pH | temperature | details |
1 | VAPOR DIFFUSION, HANGING DROP | 7 | 293 | 3.0 M ammonium sulphate and 50 mM potassium phosphate at pH 7.0,, VAPOR DIFFUSION, HANGING DROP, temperature 293K |