3OIK
Human Carbonic anhydrase II mutant A65S, N67Q (CA IX mimic) bound by 2-Ethylestradiol 3,17-O,O-bis-sulfamate
Experimental procedure
Experimental method | SINGLE WAVELENGTH |
Source type | ROTATING ANODE |
Source details | RIGAKU RU200 |
Temperature [K] | 100 |
Detector technology | IMAGE PLATE |
Collection date | 2010-06-07 |
Detector | RIGAKU RAXIS IV++ |
Spacegroup name | P 1 21 1 |
Unit cell lengths | 42.238, 41.322, 72.201 |
Unit cell angles | 90.00, 104.34, 90.00 |
Refinement procedure
Resolution | 25.317 - 1.500 |
R-factor | 0.1365 |
Rwork | 0.135 |
R-free | 0.16330 |
Structure solution method | MOLECULAR REPLACEMENT |
Starting model (for MR) | 2ili |
RMSD bond length | 0.014 |
RMSD bond angle | 1.603 |
Data reduction software | HKL-2000 |
Data scaling software | HKL-2000 |
Phasing software | PHENIX (1.6.3_467) |
Refinement software | PHENIX ((phenix.refine: 1.6.3_467)) |
Data quality characteristics
Overall | Outer shell | |
Low resolution limit [Å] | 50.000 | 1.550 |
High resolution limit [Å] | 1.500 | 1.500 |
Number of reflections | 35886 | |
<I/σ(I)> | 25.9 | 4 |
Completeness [%] | 92.2 | 89.3 |
Redundancy | 5.1 | 4.8 |
Crystallization Conditions
crystal ID | method | pH | temperature | details |
1 | 9 | 298 | 1.4 M Sodium Citrate, 100 mM Tris, 7.5 mM 2-Ethylestradiol 3,17-O,O-bis-sulfamate, pH 9.0, VAPOR DIFFUSION, HANGING DROP, temperature 298K |