4L5U
The structural implications of the secondary CO2 binding pocket in human carbonic anhydrase II
Experimental procedure
Experimental method | SINGLE WAVELENGTH |
Source type | ROTATING ANODE |
Source details | RIGAKU RUH3R |
Temperature [K] | 100 |
Detector technology | IMAGE PLATE |
Collection date | 2013-02-11 |
Detector | RIGAKU RAXIS IV++ |
Wavelength(s) | 1.5418 |
Spacegroup name | P 1 21 1 |
Unit cell lengths | 42.343, 41.433, 72.453 |
Unit cell angles | 90.00, 104.27, 90.00 |
Refinement procedure
Resolution | 19.991 - 2.050 |
R-factor | 0.1563 |
Rwork | 0.154 |
R-free | 0.20060 |
Structure solution method | MOLECULAR REPLACEMENT |
RMSD bond length | 0.011 |
RMSD bond angle | 1.297 |
Data reduction software | HKL-2000 |
Data scaling software | HKL-2000 |
Phasing software | PHENIX (1.8_106) |
Refinement software | PHENIX (1.8_1069) |
Data quality characteristics
Overall | |
Low resolution limit [Å] | 20.000 |
High resolution limit [Å] | 2.050 |
Number of reflections | 15372 |
Completeness [%] | 99.0 |
Crystallization Conditions
crystal ID | method | pH | temperature | details |
1 | VAPOR DIFFUSION, HANGING DROP | 9 | 298 | 1.4M sodium citrate, 50 mM Tris, pH 9.0, VAPOR DIFFUSION, HANGING DROP, temperature 298K |