1TE3
Effect of Shuttle Location and pH Environment on H+ Transfer in Human Carbonic Anhydrase II
Experimental procedure
| Experimental method | SINGLE WAVELENGTH |
| Source type | ROTATING ANODE |
| Source details | RIGAKU RU200 |
| Temperature [K] | 293 |
| Detector technology | IMAGE PLATE |
| Detector | RIGAKU RAXIS IV |
| Wavelength(s) | 1.54 |
| Spacegroup name | P 1 21 1 |
| Unit cell lengths | 42.703, 41.690, 72.901 |
| Unit cell angles | 90.00, 104.56, 90.00 |
Refinement procedure
| Resolution | 20.000 - 2.000 |
| Rwork | 0.128 |
| R-free | 0.20100 |
| Structure solution method | MOLECULAR REPLACEMENT |
| Starting model (for MR) | 2cba |
| RMSD bond length | 0.022 |
| RMSD bond angle | 1.828 |
| Data scaling software | SCALEPACK |
| Phasing software | AMoRE |
| Refinement software | REFMAC (5.0) |
Data quality characteristics
| Overall | Outer shell | |
| Low resolution limit [Å] | 20.000 | 2.070 |
| High resolution limit [Å] | 2.000 | 2.000 |
| Number of reflections | 16212 | |
| Completeness [%] | 91.9 |
Crystallization Conditions
| crystal ID | method | pH | temperature | details |
| 1 | VAPOR DIFFUSION, HANGING DROP | 7.8 | 277 | 50 mM Tris-Cl, 2.5 M ammonium sulfate, pH 7.8, VAPOR DIFFUSION, HANGING DROP, temperature 277K |
