2HX8
Crystal structure of Cu(I) Azurin with the metal-binding loop sequence "CTFPGHSALM" replaced with "CSPHQGAGM", at pH5
Experimental procedure
Experimental method | SINGLE WAVELENGTH |
Source type | ROTATING ANODE |
Source details | RIGAKU |
Temperature [K] | 93 |
Detector technology | IMAGE PLATE |
Collection date | 2006-03-13 |
Detector | RIGAKU RAXIS IV |
Wavelength(s) | 1.542 |
Spacegroup name | P 21 21 21 |
Unit cell lengths | 38.905, 65.345, 97.707 |
Unit cell angles | 90.00, 90.00, 90.00 |
Refinement procedure
Resolution | 54.310 - 1.600 |
R-factor | 0.14 |
Rwork | 0.138 |
R-free | 0.18400 |
Structure solution method | Direct use of Oxidised structure in same crystal form |
Starting model (for MR) | Cu(II) form of the protein |
RMSD bond length | 0.017 |
RMSD bond angle | 1.543 |
Data reduction software | MOSFLM |
Data scaling software | SCALA |
Refinement software | REFMAC |
Data quality characteristics
Overall | Outer shell | |
Low resolution limit [Å] | 54.317 | 1.690 |
High resolution limit [Å] | 1.547 | 1.600 |
Rmerge | 0.053 | 0.302 |
Total number of observations | 31142 | |
Number of reflections | 33470 | |
<I/σ(I)> | 10.2 | 2.4 |
Completeness [%] | 99.8 | 99 |
Redundancy | 6.7 | 6.5 |
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, pH 5, VAPOR DIFFUSION, HANGING DROP, temperature 293K |