2HX9
Crystal structure of Cu(I) Azurin with the metal-binding loop sequence "CTFPGHSALM" replaced with "CSPHQGAGM", at pH4
Experimental procedure
Experimental method | SINGLE WAVELENGTH |
Source type | ROTATING ANODE |
Source details | RIGAKU |
Temperature [K] | 93 |
Detector technology | IMAGE PLATE |
Collection date | 2006-03-15 |
Detector | RIGAKU RAXIS IV |
Wavelength(s) | 1.542 |
Spacegroup name | P 21 21 21 |
Unit cell lengths | 38.420, 65.335, 97.242 |
Unit cell angles | 90.00, 90.00, 90.00 |
Refinement procedure
Resolution | 33.000 - 1.700 |
R-factor | 0.172 |
Rwork | 0.170 |
R-free | 0.21800 |
Structure solution method | Direct use of Oxidised structure in same crystal form |
RMSD bond length | 0.017 |
RMSD bond angle | 1.548 |
Data reduction software | MOSFLM |
Data scaling software | SCALA |
Refinement software | REFMAC |
Data quality characteristics
Overall | Outer shell | |
Low resolution limit [Å] | 54.233 | 1.790 |
High resolution limit [Å] | 1.700 | 1.700 |
Rmerge | 0.053 | 0.293 |
Total number of observations | 19566 | |
Number of reflections | 27616 | |
<I/σ(I)> | 10.3 | 2.6 |
Completeness [%] | 99.9 | 100 |
Redundancy | 5.1 | 4.9 |
Crystallization Conditions
crystal ID | method | pH | temperature | details |
1 | VAPOR DIFFUSION, HANGING DROP | 5 | 293 | 29-31% PEG 4000, 100mM magnesium chloride, 100mM Sodium acetate. Crystal soaked in pH4 buffer and ascorbate following growth, pH 5, VAPOR DIFFUSION, HANGING DROP, temperature 293K |