6H37
The crystal structure of human carbonic anhydrase VII 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 | 2018-02-26 |
| Detector | RIGAKU SATURN 944 |
| Wavelength(s) | 1.54178 |
| Spacegroup name | P 21 21 2 |
| Unit cell lengths | 66.040, 88.640, 44.110 |
| Unit cell angles | 90.00, 90.00, 90.00 |
Refinement procedure
| Resolution | 30.900 - 1.900 |
| Rwork | 0.194 |
| R-free | 0.23600 |
| 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] | 30.900 | 1.970 |
| High resolution limit [Å] | 1.900 | 1.900 |
| Rmerge | 0.046 | 0.181 |
| Rmeas | 0.052 | 0.213 |
| Rpim | 0.024 | 0.108 |
| Number of reflections | 69317 | |
| <I/σ(I)> | 22.3 | 7.4 |
| Completeness [%] | 92.1 | 69.4 |
| Redundancy | 3.6 | 2.9 |
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 pH 8.5 |
