6H36
The crystal structure of human carbonic anhydrase VII 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 | 2018-03-13 |
| Detector | RIGAKU SATURN 944 |
| Wavelength(s) | 1.54178 |
| Spacegroup name | P 21 21 2 |
| Unit cell lengths | 66.020, 88.070, 43.960 |
| Unit cell angles | 90.00, 90.00, 90.00 |
Refinement procedure
| Resolution | 31.100 - 1.850 |
| Rwork | 0.195 |
| R-free | 0.23300 |
| Structure solution method | FOURIER SYNTHESIS |
| Starting model (for MR) | 6g4t |
| 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] | 31.100 | 1.920 |
| High resolution limit [Å] | 1.850 | 1.850 |
| Rmerge | 0.067 | 0.495 |
| Rmeas | 0.074 | 0.624 |
| Rpim | 0.032 | 0.375 |
| Number of reflections | 21202 | |
| <I/σ(I)> | 18 | 2.2 |
| Completeness [%] | 94.1 | 88.9 |
| Redundancy | 4.3 |
Crystallization Conditions
| crystal ID | method | pH | temperature | details |
| 1 | VAPOR DIFFUSION, HANGING DROP | 8.5 | 293 | 25% v/v Peg3350, 0.2 M Ammonium acetate, 0.1 M Tris-HCl pH 8.5 |
