5JN8
Crystal Structure for the complex of human carbonic anhydrase IV and acetazolamide
Experimental procedure
| Experimental method | SINGLE WAVELENGTH |
| Source type | ROTATING ANODE |
| Source details | RIGAKU MICROMAX-007 HF |
| Temperature [K] | 100 |
| Detector technology | IMAGE PLATE |
| Collection date | 2015-03-02 |
| Detector | RIGAKU RAXIS IV++ |
| Wavelength(s) | 1.5418 |
| Spacegroup name | P 21 21 21 |
| Unit cell lengths | 64.933, 123.471, 151.237 |
| Unit cell angles | 90.00, 90.00, 90.00 |
Refinement procedure
| Resolution | 95.640 - 1.850 |
| R-factor | 0.18688 |
| Rwork | 0.185 |
| R-free | 0.22805 |
| Structure solution method | MOLECULAR REPLACEMENT |
| Starting model (for MR) | PDB ID 1ZNC |
| RMSD bond length | 0.010 |
| RMSD bond angle | 1.354 |
| Data scaling software | HKL-2000 |
| Phasing software | MOLREP |
| Refinement software | REFMAC (5.5.0109) |
Data quality characteristics
| Overall | Outer shell | |
| Low resolution limit [Å] | 95.640 | 1.880 |
| High resolution limit [Å] | 1.850 | 1.850 |
| Rmerge | 0.113 | 0.474 |
| Number of reflections | 102801 | |
| <I/σ(I)> | 10.2 | 2 |
| Completeness [%] | 98.5 | 96.8 |
| Redundancy | 4.5 | 3.1 |
Crystallization Conditions
| crystal ID | method | pH | temperature | details |
| 1 | VAPOR DIFFUSION, HANGING DROP | 4.6 | 277 | 100 mM Na acetate, 200 mM AmSO4 and 21% PEG 4000 |
