6H33
The crystal structure of human carbonic anhydrase II in complex with 4-(4-phenyl)-4-hydroxy-1-piperidine-1-carbonyl)benzenesulfonamide.
Experimental procedure
| Experimental method | SINGLE WAVELENGTH |
| Source type | ROTATING ANODE |
| Source details | RIGAKU MICROMAX-007 HF |
| Temperature [K] | 100 |
| Detector technology | CCD |
| Collection date | 2017-12-20 |
| Detector | RIGAKU SATURN 944 |
| Wavelength(s) | 1.54178 |
| Spacegroup name | P 1 21 1 |
| Unit cell lengths | 42.300, 41.200, 71.780 |
| Unit cell angles | 90.00, 104.17, 90.00 |
Refinement procedure
| Resolution | 29.100 - 1.580 |
| Rwork | 0.166 |
| R-free | 0.19400 |
| Structure solution method | FOURIER SYNTHESIS |
| Starting model (for MR) | 1ca2 |
| Data reduction software | HKL-2000 |
| Data scaling software | SCALEPACK |
| Phasing software | CNS |
| Refinement software | CNS (1.3) |
Data quality characteristics
| Overall | Outer shell | |
| Low resolution limit [Å] | 29.100 | 1.640 |
| High resolution limit [Å] | 1.580 | 1.580 |
| Rmerge | 0.045 | 0.154 |
| Rmeas | 0.050 | 0.180 |
| Rpim | 0.021 | 0.092 |
| Number of reflections | 30160 | |
| <I/σ(I)> | 28.1 | |
| Completeness [%] | 90.7 | 74.7 |
| Redundancy | 4.5 |
Crystallization Conditions
| crystal ID | method | pH | temperature | details |
| 1 | VAPOR DIFFUSION, HANGING DROP | 8.5 | 293 | sodium citrate 1.3 M, Tris-HCl 0.1 M, pH 8.5 |
