3MNH
Human Carbonic Anhydrase II Mutant K170A
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 | 42.645, 41.564, 72.750 |
| Unit cell angles | 90.00, 104.50, 90.00 |
Refinement procedure
| Resolution | 20.780 - 1.650 |
| R-factor | 0.15624 |
| Rwork | 0.155 |
| R-free | 0.18783 |
| Structure solution method | MOLECULAR REPLACEMENT |
| Starting model (for MR) | 1tbt |
| RMSD bond length | 0.027 |
| RMSD bond angle | 2.142 |
| 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 | 1.710 |
| High resolution limit [Å] | 1.650 | 1.650 |
| Number of reflections | 29564 | |
| <I/σ(I)> | 12.5 | 2.1 |
| Completeness [%] | 98.4 | 98.1 |
| Redundancy | 2.7 | 2.6 |
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 |
