5BYI
Human carbonic anhydrase II with an azobenzene inhibitor (1d)
Experimental procedure
| Experimental method | SINGLE WAVELENGTH |
| Source type | SYNCHROTRON |
| Source details | SLS BEAMLINE X06SA |
| Synchrotron site | SLS |
| Beamline | X06SA |
| Temperature [K] | 100 |
| Detector technology | PIXEL |
| Collection date | 2012-12-08 |
| Detector | PSI PILATUS 6M |
| Wavelength(s) | 1.0 |
| Spacegroup name | P 1 21 1 |
| Unit cell lengths | 42.050, 41.220, 71.930 |
| Unit cell angles | 90.00, 104.23, 90.00 |
Refinement procedure
| Resolution | 10.000 - 1.150 |
| R-factor | 0.17362 |
| Rwork | 0.171 |
| R-free | 0.18727 |
| RMSD bond length | 0.008 |
| RMSD bond angle | 1.390 |
| Data reduction software | XDS |
| Data scaling software | XDS |
| Phasing software | REFMAC |
| Refinement software | REFMAC (5.7.0032) |
Data quality characteristics
| Overall | Outer shell | |
| Low resolution limit [Å] | 30.000 | 1.250 |
| High resolution limit [Å] | 1.150 | 1.150 |
| Rmerge | 0.056 | 0.078 |
| Number of reflections | 82060 | |
| <I/σ(I)> | 17.3 | 10.6 |
| Completeness [%] | 96.5 | 92.5 |
| Redundancy | 4.2 |
Crystallization Conditions
| crystal ID | method | pH | temperature | details |
| 1 | VAPOR DIFFUSION, HANGING DROP | 8.5 | 293 | 3 M Ammoniumsulfate, 50 mM Tris, 2mM PCMB |
