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 |