4A3H
2',4' DINITROPHENYL-2-DEOXY-2-FLURO-B-D-CELLOBIOSIDE COMPLEX OF THE ENDOGLUCANASE CEL5A FROM BACILLUS AGARADHAERENS AT 1.6 A RESOLUTION
Experimental procedure
Experimental method | SINGLE WAVELENGTH |
Source type | ROTATING ANODE |
Source details | RIGAKU RU200 |
Temperature [K] | 100 |
Detector technology | IMAGE PLATE |
Collection date | 1997-05-15 |
Detector | MARRESEARCH |
Spacegroup name | P 21 21 21 |
Unit cell lengths | 54.710, 69.570, 77.040 |
Unit cell angles | 90.00, 90.00, 90.00 |
Refinement procedure
Resolution | 15.000 - 1.650 |
R-factor | 0.14 * |
Rwork | 0.142 |
R-free | 0.17200 |
Structure solution method | ISOMORPHOUS WITH NATIVE STRUCTURE |
RMSD bond length | 0.010 |
RMSD bond angle | 0.026 |
Data reduction software | DENZO |
Data scaling software | SCALEPACK |
Phasing software | CCP4 |
Refinement software | REFMAC |
Data quality characteristics
Overall | Outer shell | |
Low resolution limit [Å] | 20.000 | 1.710 |
High resolution limit [Å] | 1.650 | 1.650 |
Rmerge | 0.046 | 0.176 |
Number of reflections | 35964 | |
<I/σ(I)> | 22.6 | 13.4 |
Completeness [%] | 99.9 | 99.8 * |
Redundancy | 4.2 | 4.2 |
Crystallization Conditions
crystal ID | method | pH | temperature | details |
1 | Vapor diffusion, hanging drop * | 4.5 * | Davies, G.J., (1998) Biochemistry, 37, 1926. * |
Crystallization Reagents in Literatures
ID | crystal ID | solution | reagent name | concentration (unit) | details |
1 | 1 | reservoir | ammonium sulfate | 0.8-1.2 (M) | |
2 | 1 | reservoir | glycerol | 15 (%(v/v)) |