3OIM
Human Carbonic anhydrase II 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 | 2010-06-05 |
Detector | RIGAKU RAXIS IV++ |
Wavelength(s) | 1.5418 |
Spacegroup name | P 1 21 1 |
Unit cell lengths | 42.187, 41.240, 71.341 |
Unit cell angles | 90.00, 103.95, 90.00 |
Refinement procedure
Resolution | 23.763 - 1.450 |
R-factor | 0.1457 |
Rwork | 0.144 |
R-free | 0.16980 |
Structure solution method | MOLECULAR REPLACEMENT |
Starting model (for MR) | 2ili |
RMSD bond length | 0.013 |
RMSD bond angle | 1.697 |
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 | Inner shell | Outer shell | |
Low resolution limit [Å] | 50.000 | 50.000 | 1.500 |
High resolution limit [Å] | 1.450 | 3.120 | 1.450 |
Number of reflections | 39564 | ||
<I/σ(I)> | 29.8 | 32.2 | 4.5 |
Completeness [%] | 93.2 | 99.3 | 77.9 |
Redundancy | 4.4 | 4.6 | 3.5 |
Crystallization Conditions
crystal ID | method | pH | temperature | details |
1 | VAPOR DIFFUSION, HANGING DROP | 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 |