1GZ1
Mutant D416A of the CELLOBIOHYDROLASE CEL6A FROM HUMICOLA INSOLENS in complex with methyl-cellobiosyl-4-deoxy-4-thio-beta-D-cellobioside
Experimental procedure
| Experimental method | SINGLE WAVELENGTH |
| Source type | SYNCHROTRON |
| Source details | ESRF BEAMLINE ID14-2 |
| Synchrotron site | ESRF |
| Beamline | ID14-2 |
| Temperature [K] | 100 |
| Detector technology | CCD |
| Collection date | 2001-10-15 |
| Detector | ADSC CCD |
| Spacegroup name | P 1 21 1 |
| Unit cell lengths | 48.257, 68.380, 55.180 |
| Unit cell angles | 90.00, 112.39, 90.00 |
Refinement procedure
| Resolution | 30.000 - 1.900 |
| R-factor | 0.168 |
| Rwork | 0.166 |
| R-free | 0.21100 |
| Structure solution method | MOLECULAR REPLACEMENT |
| RMSD bond length | 0.014 |
| RMSD bond angle | 1.570 * |
| Data reduction software | DENZO |
| Data scaling software | SCALEPACK |
| Phasing software | AMoRE |
| Refinement software | REFMAC (5.0) |
Data quality characteristics
| Overall | Outer shell | |
| Low resolution limit [Å] | 30.000 | 1.930 |
| High resolution limit [Å] | 1.900 | 1.900 |
| Rmerge | 0.062 | 0.280 |
| Number of reflections | 26197 | |
| <I/σ(I)> | 21.2 | 4.6 |
| Completeness [%] | 99.1 | 98 |
| Redundancy | 3.8 | 3.7 |
Crystallization Conditions
| crystal ID | method | pH | temperature | details |
| 1 | Vapor diffusion, hanging drop * | 8 * | PROTEIN WAS CONCENTRATED TO 20 MG/ML IN WATER. CRYSTALLISATION IN 200MM MAGNESIUM ACETATE IN 100MM SODIUM ACETATE BUFFER AT PH 4.6. PRECIPITANT WAS 20%. POLYETHYLENE GLYCOL 5500. |
Crystallization Reagents in Literatures
| ID | crystal ID | solution | reagent name | concentration (unit) | details |
| 1 | 1 | drop | Tris-HCl | pH8.0 | |
| 2 | 1 | drop | 0-500 (mM) | gradient | |
| 3 | 1 | drop | protein | 7 (mg/ml) | |
| 4 | 1 | reservoir | PEG5000 MME | 20 (%) | |
| 5 | 1 | reservoir | 100 (mM) | pH4.6 | |
| 6 | 1 | reservoir | 200 (mM) | ||
| 7 | 1 | reservoir | glycerol | 20 (%) |
