2H4N
H94N CARBONIC ANHYDRASE II COMPLEXED WITH ACETAZOLAMIDE
Experimental procedure
| Source type | ROTATING ANODE |
| Source details | RIGAKU RUH2R |
| Temperature [K] | 287 |
| Detector technology | IMAGE PLATE |
| Collection date | 1996-10 |
| 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 - 1.900 |
| R-factor | 0.177 |
| Rwork | 0.177 |
| R-free | 0.21900 |
| Structure solution method | DIFFERENCE FOURIER |
| Starting model (for MR) | 2CBA LESS MUTANT SIDE CHAIN AND SOLVENT MOLECULES |
| RMSD bond length | 0.007 |
| RMSD bond angle | 25.200 * |
| 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 | 1.950 |
| High resolution limit [Å] | 1.900 | 1.900 |
| Rmerge | 0.063 | 0.375 |
| Total number of observations | 50903 * | |
| Number of reflections | 19350 | |
| <I/σ(I)> | 5 | 1 |
| Completeness [%] | 98.0 | 89 |
| Redundancy | 2.6 | 2.3 |
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) |
