3OIL
Human Carbonic anhydrase II mutant A65S, N67Q (CA IX mimic) bound by 2-Ethylestradiol 3-O-sulfamate
Experimental procedure
Experimental method | SINGLE WAVELENGTH |
Source type | ROTATING ANODE |
Source details | RIGAKU RU200 |
Temperature [K] | 100 |
Detector technology | IMAGE PLATE |
Collection date | 2010-06-06 |
Detector | RIGAKU RAXIS IV++ |
Spacegroup name | P 1 21 1 |
Unit cell lengths | 42.138, 41.256, 71.570 |
Unit cell angles | 90.00, 104.07, 90.00 |
Refinement procedure
Resolution | 23.140 - 1.500 |
R-factor | 0.145 |
Rwork | 0.144 |
R-free | 0.17300 |
Structure solution method | MOLECULAR REPLACEMENT |
Starting model (for MR) | 2ili |
RMSD bond length | 0.012 |
RMSD bond angle | 1.506 |
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 | 36899 | |
<I/σ(I)> | 48.3 | 14.7 |
Completeness [%] | 95.6 | 91.1 |
Redundancy | 3.6 | 3.4 |
Crystallization Conditions
crystal ID | method | pH | temperature | details |
1 | 8 | 298 | 1.4 M Sodium Citrate, 100 mM Tris, 7.5 mM 2-Ethylestradiol 3-O-sulfamate, pH 8.0, VAPOR DIFFUSION, HANGING DROP, temperature 298K |