6FE1
Three dimensional structure of human carbonic anhydrase IX in complex with benzenesulfonamide.
Experimental procedure
| Experimental method | SINGLE WAVELENGTH |
| Source type | SYNCHROTRON |
| Source details | BESSY BEAMLINE 14.1 |
| Synchrotron site | BESSY |
| Beamline | 14.1 |
| Temperature [K] | 100 |
| Detector technology | PIXEL |
| Collection date | 2016-02-04 |
| Detector | DECTRIS PILATUS 6M |
| Wavelength(s) | 0.91841 |
| Spacegroup name | H 3 |
| Unit cell lengths | 152.020, 152.020, 172.210 |
| Unit cell angles | 90.00, 90.00, 120.00 |
Refinement procedure
| Resolution | 25.180 - 1.950 |
| R-factor | 0.18377 |
| Rwork | 0.182 |
| R-free | 0.21643 |
| Structure solution method | MOLECULAR REPLACEMENT |
| Starting model (for MR) | 3iai |
| RMSD bond length | 0.010 |
| RMSD bond angle | 1.469 |
| Data scaling software | SCALA |
| Refinement software | REFMAC (5.8.0158) |
Data quality characteristics
| Overall | Outer shell | |
| Low resolution limit [Å] | 25.180 | 2.060 |
| High resolution limit [Å] | 1.950 | 1.950 |
| Rmerge | 0.073 | 0.501 |
| Number of reflections | 107506 | 15617 |
| <I/σ(I)> | 8.7 | |
| Completeness [%] | 99.4 | 98.7 |
| Redundancy | 3 | 2.7 |
Crystallization Conditions
| crystal ID | method | pH | temperature | details |
| 1 | VAPOR DIFFUSION, SITTING DROP | 4.5 | 294 | 1.0 M DI-AMMONIUM HYDROGEN PHOSPHATE, 0.1 M SODIUM ACETATE PH 4.5, PROTEIN 10 MG/ML, 5-10 MM INHIBITOR (STOCK SOLUTION WAS 100 MM INHIBITOR DISSOLVED IN 100% DIMETHYL SULFOXIDE) |
