4JSW
Human carbonic anhydrase II H94C
Experimental procedure
| Experimental method | SINGLE WAVELENGTH |
| Source type | ROTATING ANODE |
| Source details | ENRAF-NONIUS FR591 |
| Temperature [K] | 100 |
| Detector technology | CCD |
| Collection date | 2012-06-10 |
| Detector | BRUKER SMART 6000 |
| Wavelength(s) | 1.5478 |
| Spacegroup name | P 1 21 1 |
| Unit cell lengths | 41.596, 41.086, 71.957 |
| Unit cell angles | 90.00, 103.66, 90.00 |
Refinement procedure
| Resolution | 40.420 - 1.900 |
| R-factor | 0.22255 |
| Rwork | 0.219 |
| R-free | 0.28156 |
| Structure solution method | MOLECULAR REPLACEMENT |
| Starting model (for MR) | 3ks3 |
| RMSD bond length | 0.021 |
| RMSD bond angle | 1.917 |
| Data reduction software | APEX |
| Phasing software | PHASER |
| Refinement software | REFMAC (5.5.0109) |
Data quality characteristics
| Overall | Outer shell | |
| Low resolution limit [Å] | 40.420 | 1.949 |
| High resolution limit [Å] | 1.900 | 1.900 |
| Number of reflections | 17839 | |
| Completeness [%] | 99.6 | 97.71 |
Crystallization Conditions
| crystal ID | method | pH | temperature | details |
| 1 | VAPOR DIFFUSION, SITTING DROP | 8 | 291 | 3.0 M ammonium sulfate, 50 mM HEPES, 1 mM DTT, pH 8.0, VAPOR DIFFUSION, SITTING DROP, temperature 291K |
