3MNJ
Human Carbonic Anhydrase II Mutant K170E
Experimental procedure
| Experimental method | SINGLE WAVELENGTH |
| Source type | ROTATING ANODE |
| Source details | RIGAKU RUH3R |
| Temperature [K] | 298 |
| Detector technology | IMAGE PLATE |
| Collection date | 2008-02-01 |
| Detector | RIGAKU RAXIS IV++ |
| Wavelength(s) | 1.54178 |
| Spacegroup name | P 1 21 1 |
| Unit cell lengths | 42.574, 41.468, 72.694 |
| Unit cell angles | 90.00, 104.44, 90.00 |
Refinement procedure
| Resolution | 20.620 - 1.750 |
| R-factor | 0.15909 |
| Rwork | 0.157 |
| R-free | 0.19351 |
| Structure solution method | MOLECULAR REPLACEMENT |
| Starting model (for MR) | 1tbt |
| RMSD bond length | 0.026 |
| RMSD bond angle | 2.038 |
| Data reduction software | HKL-2000 |
| Data scaling software | SCALEPACK |
| Phasing software | CCP4 |
| Refinement software | REFMAC (5.5.0109) |
Data quality characteristics
| Overall | Outer shell | |
| Low resolution limit [Å] | 50.000 | 1.810 |
| High resolution limit [Å] | 1.750 | 1.750 |
| Number of reflections | 23435 | |
| <I/σ(I)> | 16.4 | 2.3 |
| Completeness [%] | 93.1 | 80.4 |
| Redundancy | 3.1 | 2.8 |
Crystallization Conditions
| crystal ID | method | pH | temperature | details |
| 1 | VAPOR DIFFUSION, HANGING DROP | 8 | 298 | 1.3M Sodium Citrate, pH 8.0, VAPOR DIFFUSION, HANGING DROP, temperature 298K |
