3U7C
crystal structure of the V143I mutant of human carbonic anhydrase II
Experimental procedure
| Experimental method | SINGLE WAVELENGTH |
| Source type | SYNCHROTRON |
| Source details | CHESS BEAMLINE A1 |
| Synchrotron site | CHESS |
| Beamline | A1 |
| Temperature [K] | 100 |
| Detector technology | CCD |
| Collection date | 2011-05-28 |
| Detector | ADSC QUANTUM 210 |
| Wavelength(s) | 1.0 |
| 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 | 20.000 - 0.930 |
| R-factor | 0.1054 |
| R-free | 0.13130 |
| Structure solution method | MOLECULAR REPLACEMENT |
| Starting model (for MR) | 3ks3 |
| RMSD bond length | 0.014 |
| RMSD bond angle | 0.031 |
| Data reduction software | DENZO |
| Data scaling software | SCALEPACK |
| Phasing software | SHELX |
| Refinement software | SHELX |
Data quality characteristics
| Overall | Inner shell | Outer shell | |
| Low resolution limit [Å] | 50.000 | 50.000 | 0.950 |
| High resolution limit [Å] | 0.930 | 2.520 | 0.930 |
| Rmerge | 0.082 | 0.053 | 0.447 |
| Number of reflections | 157750 | ||
| <I/σ(I)> | 7.5 | ||
| Completeness [%] | 97.2 | 99.2 | 85.9 |
| Redundancy | 5.9 | 3.6 | 3.2 |
Crystallization Conditions
| crystal ID | method | pH | temperature | details |
| 1 | VAPOR DIFFUSION, HANGING DROP | 8 | 298 | 1.4 M citrate, 50 mM tris-HCl, pH 8.0, VAPOR DIFFUSION, HANGING DROP, temperature 298K |
