1H9Q
H119Q CARBONIC ANHYDRASE II
Experimental procedure
Source type | ROTATING ANODE |
Source details | RIGAKU RUH2R |
Temperature [K] | 287 |
Detector technology | IMAGE PLATE |
Collection date | 1995-10 |
Detector | RIGAKU RAXIS IIC |
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 | 20.000 - 2.200 |
R-factor | 0.182 |
Rwork | 0.182 |
R-free | 0.24900 |
Structure solution method | DIFFERENCE FOURIER |
Starting model (for MR) | 2CBA LESS MUTANT SIDE CHAIN AND SOLVENT MOLECULES |
RMSD bond length | 0.012 |
RMSD bond angle | 25.600 * |
Data reduction software | MOSFLM |
Data scaling software | CCP4 |
Phasing software | X-PLOR |
Refinement software | X-PLOR (3.1) |
Data quality characteristics
Overall | Outer shell | |
Low resolution limit [Å] | 20.000 | 2.250 |
High resolution limit [Å] | 2.200 | 2.200 |
Rmerge | 0.088 | 0.318 |
Total number of observations | 22514 * | |
Number of reflections | 11825 | |
<I/σ(I)> | 6.3 | 2.3 |
Completeness [%] | 94.0 | 93 |
Redundancy | 1.9 | 1.8 |
Crystallization Conditions
crystal ID | method | pH | temperature | details |
1 | Vapor diffusion, sitting drop * | 8 | 25 * | 2M (NH4)2SO4; 100 MM TRIS PH 8.0; 5 MM N-HEXYL BETA-D-GLUCOPYRANOSIDE |
Crystallization Reagents in Literatures
ID | crystal ID | solution | reagent name | concentration (unit) | details |
1 | 1 | drop | protein | 10 (mg/ml) | |
2 | 1 | drop | Tris-HCl | 50 (mM) | |
3 | 1 | drop | ammonium sulfate | 2.0-2.5 (M) | |
4 | 1 | reservoir | Tris-HCl | 50 (mM) | |
5 | 1 | reservoir | ammonium sulfate | 2.0-2.5 (M) | |
6 | 1 | reservoir | n-hexyl beta-D-glucopyranoside | 10 (mM) |