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 |
