5KU6
Crystal structure for the complex of human carbonic anhydrase IV and methazolamide
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 | 2015-02-26 |
| Detector | RIGAKU RAXIS IV++ |
| Wavelength(s) | 1.5418 |
| Spacegroup name | P 21 21 21 |
| Unit cell lengths | 64.965, 123.698, 151.367 |
| Unit cell angles | 90.00, 90.00, 90.00 |
Refinement procedure
| Resolution | 95.780 - 1.800 |
| R-factor | 0.18574 |
| Rwork | 0.184 |
| R-free | 0.21585 |
| Structure solution method | MOLECULAR REPLACEMENT |
| Starting model (for MR) | 1znc |
| RMSD bond length | 0.009 |
| RMSD bond angle | 1.361 |
| Data reduction software | HKL-2000 |
| Data scaling software | HKL-2000 |
| Phasing software | MOLREP |
| Refinement software | REFMAC (5.5.0109) |
Data quality characteristics
| Overall | Outer shell | |
| Low resolution limit [Å] | 40.000 | 1.830 |
| High resolution limit [Å] | 1.800 | 1.800 |
| Rmerge | 0.089 | 0.422 |
| Number of reflections | 110310 | |
| <I/σ(I)> | 11.4 | 2.1 |
| Completeness [%] | 97.3 | 94.2 |
| Redundancy | 4.4 | 2.9 |
Crystallization Conditions
| crystal ID | method | pH | temperature | details |
| 1 | VAPOR DIFFUSION, HANGING DROP | 4.6 | 277 | 100 mM Na acetate, 200 mM AmSO4 and 23% PEG 4000 |
