2HX7
Crystal structure of Cu(II) Azurin with the metal-binding loop sequence "CTFPGHSALM" replaced with "CSPHQGAGM"
Experimental procedure
Experimental method | SINGLE WAVELENGTH |
Source type | ROTATING ANODE |
Source details | RIGAKU |
Temperature [K] | 93 |
Detector technology | IMAGE PLATE |
Collection date | 2006-03-08 |
Detector | RIGAKU RAXIS IV |
Wavelength(s) | 1.542 |
Spacegroup name | P 21 21 21 |
Unit cell lengths | 38.989, 65.276, 97.909 |
Unit cell angles | 90.00, 90.00, 90.00 |
Refinement procedure
Resolution | 30.000 - 1.550 |
R-factor | 0.147 |
Rwork | 0.144 |
R-free | 0.19000 |
Structure solution method | MOLECULAR REPLACEMENT |
Starting model (for MR) | 4azu with residues 112-121 removed |
RMSD bond length | 0.018 |
RMSD bond angle | 1.563 |
Data reduction software | MOSFLM |
Data scaling software | SCALA |
Phasing software | PHASER |
Refinement software | REFMAC |
Data quality characteristics
Overall | Outer shell | |
Low resolution limit [Å] | 54.313 | 1.620 |
High resolution limit [Å] | 1.540 | 1.540 |
Rmerge | 0.051 | 0.341 |
Total number of observations | 19172 | |
Number of reflections | 36537 | |
<I/σ(I)> | 9.6 | 2 |
Completeness [%] | 96.6 | 86 |
Redundancy | 4.3 | 4.1 |
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 |