1G1D
CARBONIC ANHYDRASE II COMPLEXED WITH 4-(AMINOSULFONYL)-N-[(2-FLUOROPHENYL)METHYL]-BENZAMIDE
Experimental procedure
| Experimental method | SINGLE WAVELENGTH |
| Source type | ROTATING ANODE |
| Source details | RIGAKU RU200 |
| Temperature [K] | 298 |
| Detector technology | IMAGE PLATE |
| Collection date | 1999-06-23 |
| Detector | RIGAKU RAXIS IIC |
| Spacegroup name | P 1 21 1 |
| Unit cell lengths | 42.790, 41.860, 72.730 |
| Unit cell angles | 90.00, 104.70, 90.00 |
Refinement procedure
| Resolution | 20.000 - 2.040 |
| Rwork | 0.198 |
| R-free | 0.27700 |
| RMSD bond length | 0.009 |
| RMSD bond angle | 25.000 * |
| Data reduction software | DENZO |
| Data scaling software | SCALEPACK |
| Phasing software | X-PLOR |
| Refinement software | X-PLOR |
Data quality characteristics
| Overall | Outer shell | |
| Low resolution limit [Å] | 20.000 | 2.110 |
| High resolution limit [Å] | 2.040 | 2.040 |
| Rmerge | 0.070 | 0.201 |
| Total number of observations | 103002 * | |
| Number of reflections | 16135 | |
| <I/σ(I)> | 11 | |
| Completeness [%] | 99.8 | 100 |
| Redundancy | 4.9 | 4.7 |
Crystallization Conditions
| crystal ID | method | pH | temperature | details |
| 1 | VAPOR DIFFUSION, HANGING DROP | 8 | 4 * | drop consists of equal amounts of protein and precipitant solutions * |
Crystallization Reagents in Literatures
| ID | crystal ID | solution | reagent name | concentration (unit) | details |
| 1 | 1 | drop | protein | 8-12 (mg/ml) | |
| 2 | 1 | drop | methyl mercuric acetate | 1 (mM) | |
| 3 | 1 | drop | Tris-sulfate | 50 (mM) | |
| 4 | 1 | reservoir | ammonium sulfate | 2.60-2.75 (M) | precipitant |
| 5 | 1 | reservoir | Tris-sulfate | 50 (mM) | precipitant |
