1FSQ
X-RAY CRYSTAL STRUCTURE OF COBALT-BOUND 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 | 1999-12-06 |
Detector | RIGAKU RAXIS IIC |
Spacegroup name | P 1 |
Unit cell lengths | 42.240, 43.530, 67.140 |
Unit cell angles | 86.90, 90.10, 75.40 |
Refinement procedure
Resolution | 20.000 - 2.000 |
R-factor | 0.217 |
Rwork | 0.217 |
R-free | 0.25000 |
RMSD bond length | 0.006 |
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 | 0.057 | 0.228 |
Total number of observations | 52591 * | |
Number of reflections | 29510 | |
<I/σ(I)> | 7 | |
Completeness [%] | 93.5 | 78.2 |
Redundancy | 1.8 | 1.7 |
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 (%) |