1OKN
CARBONIC ANHYDRASE II COMPLEX WITH THE 1OKN INHIBITOR 4-SULFONAMIDE-[1-(4-N-(5-FLUORESCEIN THIOUREA)BUTANE)]
Experimental procedure
Source type | ROTATING ANODE |
Source details | RIGAKU RUH2R |
Temperature [K] | 93 |
Detector technology | IMAGE PLATE |
Detector | RIGAKU |
Spacegroup name | P 1 21 1 |
Unit cell lengths | 42.700, 41.700, 73.000 |
Unit cell angles | 90.00, 104.60, 90.00 |
Refinement procedure
Resolution | ? - 2.400 |
R-factor | 0.153 |
Rwork | 0.153 |
R-free | 0.26800 |
RMSD bond length | 0.008 |
RMSD bond angle | 24.700 * |
Data reduction software | MOSFLM |
Data scaling software | CCP4 |
Phasing software | X-PLOR (3.1) |
Refinement software | X-PLOR (3.1) |
Data quality characteristics
Overall | Outer shell | |
High resolution limit [Å] | 2.400 | 0.100 * |
Rmerge | 0.051 | |
Total number of observations | 23619 * | |
Number of reflections | 8797 | |
Completeness [%] | 88.5 | 89 |
Redundancy | 2.2 |
Crystallization Conditions
crystal ID | method | pH | temperature | details |
1 | Vapor diffusion, sitting drop * | 8 * | 24 * |
Crystallization Reagents in Literatures
ID | crystal ID | solution | reagent name | concentration (unit) | details |
1 | 1 | drop | CAII | ||
2 | 1 | drop | Tris-HCl | 50 (mM) | |
3 | 1 | drop | methyl mercuric acetate | 0.005ml saturated | |
4 | 1 | drop | ammonium sulfate | 0.875-1.25 (M) | |
5 | 1 | reservoir | ammonium sulfate | 3.5-5.0 (M) | |
6 | 1 | reservoir | Tris-HCl | 100 (mM) |