3RGE
Crystal structure of the W5H mutant of human carbonic anhydrase II
Experimental procedure
Experimental method | SINGLE WAVELENGTH |
Source type | ROTATING ANODE |
Source details | RIGAKU RUH3R |
Temperature [K] | 298 |
Detector technology | IMAGE PLATE |
Collection date | 2009-12-30 |
Detector | RIGAKU RAXIS IV++ |
Spacegroup name | P 1 21 1 |
Unit cell lengths | 42.700, 41.510, 72.642 |
Unit cell angles | 90.00, 104.32, 90.00 |
Refinement procedure
Resolution | 20.755 - 2.096 |
R-factor | 0.1434 |
Rwork | 0.141 |
R-free | 0.18760 |
Structure solution method | MOLECULAR REPLACEMENT |
Starting model (for MR) | 2ili |
RMSD bond length | 0.003 |
RMSD bond angle | 0.795 |
Data reduction software | DENZO |
Data scaling software | SCALEPACK |
Phasing software | PHENIX |
Refinement software | PHENIX (1.7_650) |
Data quality characteristics
Overall | Inner shell | Outer shell | |
Low resolution limit [Å] | 30.000 | 30.000 | 2.180 |
High resolution limit [Å] | 2.096 | 4.520 | 2.100 |
Rmerge | 0.100 | 0.092 | 0.121 |
Number of reflections | 12580 | ||
<I/σ(I)> | 13 | ||
Completeness [%] | 87.4 | 75.9 | 90.9 |
Redundancy | 2.6 | 2.8 | 2.4 |
Crystallization Conditions
crystal ID | method | pH | temperature | details |
1 | VAPOR DIFFUSION, HANGING DROP | 8 | 298 | 1.2-1.4 M sodium citrate, 100 mM Tris, pH 8.0, VAPOR DIFFUSION, HANGING DROP, temperature 298.0K |