5JNA
Crystal structure for the complex of human carbonic anhydrase IV and topiramate
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 | 64.908, 123.798, 151.430 |
| Unit cell angles | 90.00, 90.00, 90.00 |
Refinement procedure
| Resolution | 95.850 - 2.000 |
| R-factor | 0.17452 |
| Rwork | 0.172 |
| R-free | 0.21835 |
| Structure solution method | MOLECULAR REPLACEMENT |
| Starting model (for MR) | PDB ID 1ZNC |
| RMSD bond length | 0.010 |
| RMSD bond angle | 1.339 |
| 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] | 95.850 | 2.030 |
| High resolution limit [Å] | 2.000 | 2.000 |
| Rmerge | 0.096 | 0.424 |
| Number of reflections | 80516 | |
| <I/σ(I)> | 12.1 | 2.4 |
| Completeness [%] | 96.8 | 92.7 |
| Redundancy | 4.7 | 3.3 |
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 |
