2I7S
Crystal structure of Re(phen)(CO)3 (Thr124His)(His83Gln) Azurin Cu(II) from Pseudomonas aeruginosa
Experimental procedure
Experimental method | SINGLE WAVELENGTH |
Source type | SYNCHROTRON |
Source details | CHESS BEAMLINE F2 |
Synchrotron site | CHESS |
Beamline | F2 |
Temperature [K] | 100 |
Detector technology | CCD |
Collection date | 2003-02-01 |
Detector | ADSC QUANTUM 210 |
Wavelength(s) | 0.91600 |
Spacegroup name | P 1 |
Unit cell lengths | 33.135, 58.980, 66.107 |
Unit cell angles | 82.92, 78.11, 76.68 |
Refinement procedure
Resolution | 30.000 - 1.350 |
Rwork | 0.205 |
R-free | 0.23900 |
Structure solution method | MOLECULAR REPLACEMENT |
Starting model (for MR) | 1bex |
Data reduction software | DENZO |
Data scaling software | SCALEPACK |
Phasing software | EPMR |
Refinement software | SHELX |
Data quality characteristics
Overall | |
Low resolution limit [Å] | 30.000 |
High resolution limit [Å] | 1.350 |
Number of reflections | 104393 |
<I/σ(I)> | 4.7 |
Completeness [%] | 95.6 |
Redundancy | 1.64 |
Crystallization Conditions
crystal ID | method | pH | temperature | details |
1 | VAPOR DIFFUSION, HANGING DROP | 7 | 298 | 20% PEG4000, 100 mM LiNO3, 100 mM Imidazole pH 7.0. One fourth of the drop volume was saturated with [Co(NH3)5Cl]Cl2 solution, VAPOR DIFFUSION, HANGING DROP, temperature 298.0K |