1FSN
X-RAY CRYSTAL STRUCTURE OF METAL-FREE F93S/F95L/W97M CARBONIC ANHYDRASE (CAII) VARIANT
Experimental procedure
Experimental method | SINGLE WAVELENGTH |
Source type | ROTATING ANODE |
Source details | RIGAKU |
Temperature [K] | 130 |
Detector technology | IMAGE PLATE |
Collection date | 1999-07-04 |
Detector | RIGAKU RAXIS IIC |
Spacegroup name | P 1 |
Unit cell lengths | 42.240, 43.870, 66.630 |
Unit cell angles | 87.01, 89.90, 75.96 |
Refinement procedure
Resolution | 20.000 - 2.000 |
R-factor | 0.244 |
Rwork | 0.244 |
R-free | 0.29100 |
RMSD bond length | 0.007 |
RMSD bond angle | 1.300 |
Data reduction software | DENZO |
Data scaling software | SCALEPACK |
Phasing software | X-PLOR |
Refinement software | X-PLOR (3.851) |
Data quality characteristics
Overall | Outer shell | |
Low resolution limit [Å] | 20.000 | 2.070 |
High resolution limit [Å] | 2.000 | 2.000 |
Rmerge | 0.054 | 0.237 |
Total number of observations | 100913 * | |
Number of reflections | 29335 | |
<I/σ(I)> | 8.8 | |
Completeness [%] | 93.8 | 78.2 |
Redundancy | 3.4 | 3.2 |
Crystallization Conditions
crystal ID | method | pH | temperature | details |
1 | VAPOR DIFFUSION, HANGING DROP | 7 | 25 * | HEPES, PEG 1500, pH 7.0, VAPOR DIFFUSION, HANGING DROP, temperature 277K |
Crystallization Reagents in Literatures
ID | crystal ID | solution | reagent name | concentration (unit) | details |
1 | 1 | drop | protein | 10 (mg/ml) | |
2 | 1 | reservoir | HEPES | 100 (mM) | |
3 | 1 | reservoir | PEG1500 | 25 (%) |