5CXK
Crystal structure of beta carbonic anhydrase from Vibrio cholerae
Experimental procedure
| Experimental method | SINGLE WAVELENGTH |
| Source type | SYNCHROTRON |
| Source details | ESRF BEAMLINE BM30A |
| Synchrotron site | ESRF |
| Beamline | BM30A |
| Temperature [K] | 100 |
| Detector technology | PIXEL |
| Collection date | 2015-04-10 |
| Detector | DECTRIS PILATUS 6M |
| Wavelength(s) | 0.979 |
| Spacegroup name | P 41 |
| Unit cell lengths | 84.087, 84.087, 316.378 |
| Unit cell angles | 90.00, 90.00, 90.00 |
Refinement procedure
| Resolution | 47.530 - 1.900 |
| R-factor | 0.1858 |
| Rwork | 0.183 |
| R-free | 0.23770 |
| Structure solution method | MOLECULAR REPLACEMENT |
| Starting model (for MR) | 2esf |
| RMSD bond length | 0.008 |
| RMSD bond angle | 1.289 |
| Data reduction software | XDS |
| Data scaling software | XSCALE |
| Phasing software | MOLREP |
| Refinement software | REFMAC (5.8.0073) |
Data quality characteristics
| Overall | Inner shell | Outer shell | |
| Low resolution limit [Å] | 47.500 | 2.010 | |
| High resolution limit [Å] | 1.900 | 5.670 | 1.900 |
| Rmerge | 0.079 | 0.036 | 0.433 |
| Rmeas | 0.092 | 0.040 | 0.587 |
| Total number of observations | 501239 | ||
| Number of reflections | 166608 | 3591 | 13159 |
| <I/σ(I)> | 10.82 | 34.73 | 1.62 |
| Completeness [%] | 96.8 | 94 | 87.1 |
| Redundancy | 3.3 | 2 |
Crystallization Conditions
| crystal ID | method | pH | temperature | details |
| 1 | VAPOR DIFFUSION, SITTING DROP | 7.5 | 296 | PEG8000, ethylene glycol,Hepes |
