3OQR
C112D/M121E Azurin, pH 10.0
Experimental procedure
Experimental method | SINGLE WAVELENGTH |
Source type | ROTATING ANODE |
Source details | RIGAKU |
Temperature [K] | 100 |
Detector technology | IMAGE PLATE |
Collection date | 2010-04-10 |
Detector | RIGAKU RAXIS IV++ |
Wavelength(s) | 1.54 |
Spacegroup name | C 2 2 21 |
Unit cell lengths | 48.422, 55.348, 95.140 |
Unit cell angles | 90.00, 90.00, 90.00 |
Refinement procedure
Resolution | 7.990 - 2.400 |
R-factor | 0.2033 |
Rwork | 0.197 |
R-free | 0.33148 |
Structure solution method | MOLECULAR REPLACEMENT |
Starting model (for MR) | 1ag0 |
RMSD bond length | 0.012 |
RMSD bond angle | 2.410 |
Refinement software | REFMAC (5.5.0109) |
Data quality characteristics
Overall | Outer shell | |
Low resolution limit [Å] | 26.540 | 2.120 |
High resolution limit [Å] | 2.010 | 2.010 |
Rmerge | 0.053 | |
Number of reflections | 8152 | |
<I/σ(I)> | 8.2 | |
Completeness [%] | 93.8 | 96.2 |
Crystallization Conditions
crystal ID | method | pH | temperature | details |
1 | VAPOR DIFFUSION, SITTING DROP | 7 | 298 | 25% PEG 4000, 0.1 M sodium acetate pH 5.6, 0.1 M tris pH 8, 0.1 M lithium nitrate, 0.01 M copper(II) chloride, VAPOR DIFFUSION, SITTING DROP, temperature 298K |