3OUP
Crystal structure of the gamma-carbonic anhydrase W19N mutant from Methanosarcina thermophila
Experimental procedure
| Experimental method | SINGLE WAVELENGTH |
| Source type | ROTATING ANODE |
| Source details | RIGAKU RUH3R |
| Temperature [K] | 293 |
| Detector technology | IMAGE PLATE |
| Detector | RIGAKU RAXIS IV++ |
| Wavelength(s) | 1.5418 |
| Spacegroup name | P 21 3 |
| Unit cell lengths | 83.563, 83.563, 83.563 |
| Unit cell angles | 90.00, 90.00, 90.00 |
Refinement procedure
| Resolution | 26.425 - 1.650 |
| R-factor | 0.1379 |
| Rwork | 0.137 |
| R-free | 0.15810 |
| Structure solution method | MOLECULAR REPLACEMENT |
| RMSD bond length | 0.012 |
| RMSD bond angle | 1.458 |
| Data reduction software | DENZO |
| Data scaling software | SCALEPACK |
| Phasing software | PHASER |
| Refinement software | PHENIX (1.6.3_467) |
Data quality characteristics
| Overall | Inner shell | Outer shell | |
| Low resolution limit [Å] | 50.000 | 50.000 | 1.710 |
| High resolution limit [Å] | 1.650 | 3.550 | 1.650 |
| Rmerge | 0.034 | 0.026 | 0.249 |
| Number of reflections | 23546 | ||
| <I/σ(I)> | 32.8 | ||
| Completeness [%] | 99.6 | 97 | 99.1 |
| Redundancy | 7.2 | 7.4 | 3.5 |
Crystallization Conditions
| crystal ID | method | pH | temperature | details |
| 1 | VAPOR DIFFUSION, HANGING DROP | 7 | 293 | 5% PEG 8000 with 250 mM ammonium sulfate., pH 7.0, VAPOR DIFFUSION, HANGING DROP, temperature 293K |
