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 |