6I0W
Human Carbonic Anhydrase II in complex with 4-Methoxybenzenesulfonamide
Experimental procedure
| Experimental method | SINGLE WAVELENGTH |
| Source type | SYNCHROTRON |
| Source details | BESSY BEAMLINE 14.2 |
| Synchrotron site | BESSY |
| Beamline | 14.2 |
| Temperature [K] | 100 |
| Detector technology | PIXEL |
| Collection date | 2017-03-10 |
| Detector | DECTRIS PILATUS 2M |
| Wavelength(s) | 0.9184 |
| Spacegroup name | P 1 21 1 |
| Unit cell lengths | 42.375, 41.427, 72.258 |
| Unit cell angles | 90.00, 104.63, 90.00 |
Refinement procedure
| Resolution | 34.958 - 1.040 |
| R-factor | 0.1199 |
| Rwork | 0.119 |
| R-free | 0.13220 |
| Structure solution method | MOLECULAR REPLACEMENT |
| Starting model (for MR) | 3ks3 |
| RMSD bond length | 0.008 |
| RMSD bond angle | 1.078 |
| Data reduction software | XDS |
| Data scaling software | XDS |
| Phasing software | PHASER |
| Refinement software | PHENIX ((1.10.1_2155: ???)) |
Data quality characteristics
| Overall | Outer shell | |
| Low resolution limit [Å] | 41.427 | 1.100 |
| High resolution limit [Å] | 1.040 | 1.040 |
| Number of reflections | 113777 | 17379 |
| <I/σ(I)> | 11 | 2 |
| Completeness [%] | 97.7 | 93.1 |
| Redundancy | 3.59 | 3.31 |
| CC(1/2) | 0.998 | 0.751 |
Crystallization Conditions
| crystal ID | method | pH | temperature | details |
| 1 | VAPOR DIFFUSION, HANGING DROP | 7.8 | 291 | Ammoniumsulfate 2.70 M, pH = 7.8, saturated with para-Chloromercuribenzoic acid. |
