6H2Z
The crystal structure of human carbonic anhydrase II in complex with 4-(4-phenylpiperidine-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 | 2018-01-29 |
| Detector | RIGAKU SATURN 944 |
| Wavelength(s) | 1.54178 |
| Spacegroup name | P 1 21 1 |
| Unit cell lengths | 42.350, 41.110, 71.670 |
| Unit cell angles | 90.00, 104.22, 90.00 |
Refinement procedure
| Resolution | 34.700 - 1.940 |
| R-factor | 0.181 |
| Rwork | 0.179 |
| R-free | 0.21400 |
| 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] | 34.700 | 2.010 |
| High resolution limit [Å] | 1.940 | 1.940 |
| Rmerge | 0.114 | 0.418 |
| Rmeas | 0.131 | 0.570 |
| Rpim | 0.063 | 0.336 |
| Number of reflections | 17564 | 1610 |
| <I/σ(I)> | 11.5 | |
| Completeness [%] | 98.6 | 90.2 |
| Redundancy | 4 |
Crystallization Conditions
| crystal ID | method | pH | temperature | details |
| 1 | VAPOR DIFFUSION, HANGING DROP | 8.5 | 293 | sodium citrate 1.3M, Tris-HCl 0.1 M, pH 8.5 |
