6B4D
Crystal structure of human carbonic anhydrase II in complex with a heteroaryl-pyrazole carboxylic acid derivative.
Replaces: 5CJLExperimental 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 | 2015-04-01 |
| Detector | ADSC QUANTUM 270 |
| Wavelength(s) | 0.98 |
| Spacegroup name | P 1 21 1 |
| Unit cell lengths | 42.359, 41.507, 72.333 |
| Unit cell angles | 90.00, 104.25, 90.00 |
Refinement procedure
| Resolution | 19.900 - 1.196 |
| R-factor | 0.1394 |
| Rwork | 0.139 |
| R-free | 0.15600 |
| Structure solution method | MOLECULAR REPLACEMENT |
| Starting model (for MR) | 3ks3 |
| RMSD bond length | 0.007 |
| RMSD bond angle | 1.141 |
| Data reduction software | HKL-2000 |
| Data scaling software | HKL-2000 |
| Phasing software | PHENIX |
| Refinement software | PHENIX (1.10pre_2097) |
Data quality characteristics
| Overall | |
| Low resolution limit [Å] | 19.900 |
| High resolution limit [Å] | 1.196 |
| Number of reflections | 67580 |
| <I/σ(I)> | 29.5 |
| Completeness [%] | 91.1 |
| Redundancy | 2.6 |
Crystallization Conditions
| crystal ID | method | pH | temperature | details |
| 1 | VAPOR DIFFUSION, HANGING DROP | 7.8 | 298 | 1.6 M sodium citrate, 50mM Tris HCl |
