3U3A
structure of Human Carbonic Anhydrase II V143I
Experimental procedure
| Experimental method | SINGLE WAVELENGTH |
| Source type | ROTATING ANODE |
| Source details | RIGAKU RUH3R |
| Temperature [K] | 100 |
| Detector technology | IMAGE PLATE |
| Collection date | 2010-12-10 |
| Detector | RIGAKU RAXIS IV++ |
| Wavelength(s) | 1.5418 |
| Spacegroup name | P 1 21 1 |
| Unit cell lengths | 42.216, 41.274, 72.077 |
| Unit cell angles | 90.00, 104.24, 90.00 |
Refinement procedure
| Resolution | 30.533 - 1.549 |
| R-factor | 0.1633 |
| Rwork | 0.163 |
| R-free | 0.19080 |
| Structure solution method | MOLECULAR REPLACEMENT |
| Starting model (for MR) | 1tbt |
| RMSD bond length | 0.006 |
| RMSD bond angle | 1.125 |
| 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] | 50.000 | 50.000 | 1.610 |
| High resolution limit [Å] | 1.549 | 3.340 | 1.550 |
| Rmerge | 0.036 | 0.283 | |
| Number of reflections | 31199 | ||
| <I/σ(I)> | 16.2 | ||
| Completeness [%] | 89.8 | 93.6 | 85.4 |
| Redundancy | 4.6 | 4.5 | 4.6 |
Crystallization Conditions
| crystal ID | method | pH | temperature | details |
| 1 | VAPOR DIFFUSION, HANGING DROP | 8 | 298 | 1.4 M Sodium Citrate 50 mM Tris pH 8, VAPOR DIFFUSION, HANGING DROP, temperature 298K |
