3CEL
ACTIVE-SITE MUTANT E212Q DETERMINED AT PH 6.0 WITH CELLOBIOSE BOUND IN THE ACTIVE SITE
Experimental procedure
Temperature [K] | 293 |
Detector technology | IMAGE PLATE |
Collection date | 1995-05-06 |
Detector | RIGAKU |
Spacegroup name | I 2 2 2 |
Unit cell lengths | 84.000, 84.100, 111.500 |
Unit cell angles | 90.00, 90.00, 90.00 |
Refinement procedure
Resolution | 7.500 - 2.000 |
R-factor | 0.2 |
Rwork | 0.200 |
R-free | 0.25600 |
RMSD bond length | 0.006 |
RMSD bond angle | 1.100 * |
Data reduction software | DENZO |
Data scaling software | CCP4 |
Phasing software | X-PLOR (3.1) |
Refinement software | X-PLOR (3.1) |
Data quality characteristics
Overall | Outer shell | |
Low resolution limit [Å] | 67.100 | 2.050 |
High resolution limit [Å] | 2.000 | 2.000 |
Rmerge | 0.077 | 0.148 |
Total number of observations | 138916 * | |
Number of reflections | 26782 | |
<I/σ(I)> | 5.4 | 4.1 |
Completeness [%] | 99.3 | 99.4 |
Redundancy | 5.2 | 4.9 |
Crystallization Conditions
crystal ID | method | pH | temperature | details |
1 | Vapor diffusion, hanging drop * | 6 | 50 MM MES PH 6.0, 5% MONOMETHYL ETHER PEG 5000, 5 MM CDCL2, 1 MM CELLOBIOSE |
Crystallization Reagents in Literatures
ID | crystal ID | solution | reagent name | concentration (unit) | details |
1 | 1 | drop | protein | 6 (mg/ml) | |
2 | 1 | drop | cellobiose | 1 (mM) | |
3 | 1 | drop | mPEG5000 | 5 (%) | |
4 | 1 | drop | 5 (mM) | ||
5 | 1 | drop | sodium azide | 0.02 (%(w/v)) | |
6 | 1 | drop | MES | 50 (mM) | |
7 | 1 | reservoir | MES | 100 (mM) | |
8 | 1 | reservoir | mPEG5000 | 10 (%) |