3RG3
Crystal structure of the W5E 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 | 2010-04-23 |
| Detector | RIGAKU RAXIS IV++ |
| Spacegroup name | P 1 21 1 |
| Unit cell lengths | 42.697, 41.493, 72.645 |
| Unit cell angles | 90.00, 104.38, 90.00 |
Refinement procedure
| Resolution | 23.456 - 1.903 |
| R-factor | 0.1343 |
| Rwork | 0.133 |
| R-free | 0.16960 |
| Structure solution method | MOLECULAR REPLACEMENT |
| Starting model (for MR) | 2ili |
| RMSD bond length | 0.011 |
| RMSD bond angle | 1.292 |
| 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 | 1.970 |
| High resolution limit [Å] | 1.900 | 4.090 | 1.900 |
| Rmerge | 0.095 | 0.069 | 0.298 |
| Number of reflections | 18921 | ||
| <I/σ(I)> | 9.5 | ||
| Completeness [%] | 99.5 | 96.3 | 99.6 |
| Redundancy | 2.6 | 2.6 | 2.6 |
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 |
