1F9O
Crystal structure of the cellulase Cel48F from C. Cellulolyticum with the thiooligosaccharide inhibitor PIPS-IG3
Experimental procedure
Experimental method | SINGLE WAVELENGTH |
Source type | ROTATING ANODE |
Source details | RIGAKU RU200 |
Temperature [K] | 291 |
Detector technology | IMAGE PLATE |
Collection date | 1997-04-08 |
Detector | MARRESEARCH |
Spacegroup name | P 21 21 21 |
Unit cell lengths | 61.600, 84.570, 121.820 |
Unit cell angles | 90.00, 90.00, 90.00 |
Refinement procedure
Resolution | 19.960 - 2.500 |
R-factor | 0.179 |
Rwork | 0.179 |
R-free | 0.24300 |
RMSD bond length | 0.006 |
RMSD bond angle | 1.400 |
Data reduction software | DENZO |
Data scaling software | SCALA |
Phasing software | X-PLOR |
Refinement software | CNS |
Data quality characteristics
Overall | Outer shell | |
Low resolution limit [Å] | 19.960 | 2.560 |
High resolution limit [Å] | 2.500 | 2.500 |
Rmerge | 0.082 | 0.277 |
Number of reflections | 21271 | |
<I/σ(I)> | 7.2 | |
Completeness [%] | 99.6 | 98.3 |
Redundancy | 3.6 | 3.7 |
Crystallization Conditions
crystal ID | method | pH | temperature | details |
1 | VAPOR DIFFUSION, HANGING DROP | 7.5 | 293 * | PEG 4000, HEPES, Calcium chloride, Thiooligosaccharide, pH 7.5, VAPOR DIFFUSION, HANGING DROP, temperature 291K |
Crystallization Reagents in Literatures
ID | crystal ID | solution | reagent name | concentration (unit) | details |
1 | 1 | drop | protein | 20 (mg/ml) | |
2 | 1 | drop | substrate/inhibitor | 4 (mM) | |
3 | 1 | drop | IG4 | 2 (mM) | |
4 | 1 | reservoir | 0.5 (M ) | or 0.3M |