6KM2
Human Carbonic Anhydrase II V143I variant 15 atm CO2
Experimental procedure
| Experimental method | SINGLE WAVELENGTH |
| Source type | SYNCHROTRON |
| Source details | CHESS BEAMLINE F1 |
| Synchrotron site | CHESS |
| Beamline | F1 |
| Temperature [K] | 100 |
| Detector technology | CCD |
| Collection date | 2011-05-30 |
| Detector | ADSC QUANTUM 270 |
| Wavelength(s) | 0.9179 |
| Spacegroup name | P 1 21 1 |
| Unit cell lengths | 42.296, 41.458, 72.083 |
| Unit cell angles | 90.00, 104.16, 90.00 |
Refinement procedure
| Resolution | 29.156 - 0.900 |
| Rwork | 0.110 |
| R-free | 0.12220 |
| Structure solution method | MOLECULAR REPLACEMENT |
| Starting model (for MR) | 3u7c |
| RMSD bond length | 0.030 |
| RMSD bond angle | 2.568 |
| Data reduction software | HKL-2000 |
| Data scaling software | HKL-2000 |
| Phasing software | REFMAC |
| Refinement software | REFMAC (5.8.0124 2015/06/02) |
Data quality characteristics
| Overall | Outer shell | |
| Low resolution limit [Å] | 50.000 | 0.920 |
| High resolution limit [Å] | 0.900 | 0.900 |
| Rmerge | 0.083 | 0.653 |
| Number of reflections | 171362 | 7147 |
| <I/σ(I)> | 20.63 | 1.75 |
| Completeness [%] | 95.7 | |
| Redundancy | 5.6 |
Crystallization Conditions
| crystal ID | method | pH | temperature | details |
| 1 | VAPOR DIFFUSION, HANGING DROP | 8 | 293 | 1.3 M sodium citrate, 100 mM Tris-HCl |
