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 (%) |
