3TVO
Human Carbonic Anhydrase II Proton Transfer Double Mutant
Experimental procedure
| Experimental method | SINGLE WAVELENGTH |
| Source type | ROTATING ANODE |
| Source details | RIGAKU RU200 |
| Temperature [K] | 100 |
| Detector technology | IMAGE PLATE |
| Collection date | 2010-04-22 |
| Detector | RIGAKU RAXIS IV++ |
| Wavelength(s) | 1.5418 |
| Spacegroup name | P 1 21 1 |
| Unit cell lengths | 42.095, 41.129, 72.100 |
| Unit cell angles | 90.00, 104.46, 90.00 |
Refinement procedure
| Resolution | 26.614 - 1.600 |
| R-factor | 0.1686 |
| Rwork | 0.166 |
| R-free | 0.20490 |
| Structure solution method | MOLECULAR REPLACEMENT |
| Starting model (for MR) | 1tbt |
| RMSD bond length | 0.006 |
| RMSD bond angle | 1.019 |
| Data reduction software | DENZO |
| Data scaling software | SCALEPACK |
| Phasing software | PHENIX |
| Refinement software | PHENIX (1.6.3_467) |
Data quality characteristics
| Overall | Inner shell | Outer shell | |
| Low resolution limit [Å] | 26.614 | 26.614 | 1.660 |
| High resolution limit [Å] | 1.600 | 3.450 | 1.600 |
| Rmerge | 0.084 | 0.066 | 0.473 |
| Number of reflections | 31717 | ||
| <I/σ(I)> | 14.8 | ||
| Completeness [%] | 99.7 | 98.6 | 99.8 |
| Redundancy | 3.8 | 4 | 3.6 |
Crystallization Conditions
| crystal ID | method | pH | temperature | details |
| 1 | VAPOR DIFFUSION, HANGING DROP | 8 | 298 | 1.25 M sodium citrate, 100 mM Tris-HCl, pH 8.0, VAPOR DIFFUSION, HANGING DROP, temperature 298K |
