1IF8
Carbonic Anhydrase II Complexed With (S)-N-(3-Indol-1-yl-2-methyl-propyl)-4-sulfamoyl-benzamide
Experimental procedure
Experimental method | SINGLE WAVELENGTH |
Source type | ROTATING ANODE |
Source details | RIGAKU RU200 |
Temperature [K] | 298 |
Detector technology | IMAGE PLATE |
Collection date | 2000-03-29 |
Detector | RIGAKU RAXIS IIC |
Wavelength(s) | 1.54 |
Spacegroup name | P 1 21 1 |
Unit cell lengths | 43.200, 42.300, 73.900 |
Unit cell angles | 90.00, 104.70, 90.00 |
Refinement procedure
Resolution | 20.000 - 1.940 |
Rwork | 0.220 |
R-free | 0.29300 |
Structure solution method | FOURIER SYNTHESIS |
Starting model (for MR) | 2cba |
RMSD bond length | 0.012 |
RMSD bond angle | 25.200 * |
Data reduction software | DENZO |
Data scaling software | SCALEPACK |
Phasing software | X-PLOR |
Refinement software | X-PLOR |
Data quality characteristics
Overall | |
Low resolution limit [Å] | 20.000 |
High resolution limit [Å] | 1.940 |
Rmerge | 0.122 |
Total number of observations | 76137 * |
Number of reflections | 18866 * |
<I/σ(I)> | 7.4 |
Completeness [%] | 94.0 * |
Redundancy | 4 |
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 | 15 (mg/ml) | |
2 | 1 | drop | methyl mercuric acetate | 1 (mM) | |
3 | 1 | drop | Tris-sulfate | 20 (mM) | |
4 | 1 | reservoir | ammonium sulfate | 2.75 (M) | precipitant |
5 | 1 | reservoir | Tris-sulfate | 50 (mM) | precipitant |