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 |