1E55
Crystal structure of the inactive mutant Monocot (Maize ZMGlu1) beta-glucosidase ZMGluE191D in complex with the competitive inhibitor dhurrin
Experimental procedure
| Experimental method | SINGLE WAVELENGTH |
| Source type | SYNCHROTRON |
| Source details | ESRF BEAMLINE ID14-2 |
| Synchrotron site | ESRF |
| Beamline | ID14-2 |
| Temperature [K] | 100 |
| Collection date | 2000-03-15 |
| Spacegroup name | P 21 21 21 |
| Unit cell lengths | 91.800, 95.000, 117.500 |
| Unit cell angles | 90.00, 90.00, 90.00 |
Refinement procedure
| Resolution | 29.000 - 2.000 |
| R-factor | 0.196 |
| Rwork | 0.196 |
| R-free | 0.23500 |
| Structure solution method | MOLECULAR REPLACEMENT |
| Starting model (for MR) | 1e1e |
| RMSD bond length | 0.006 |
| RMSD bond angle | 22.500 * |
| Data reduction software | DENZO |
| Data scaling software | SCALA |
| Phasing software | CNS (1.0) |
| Refinement software | CNS (1.0) |
Data quality characteristics
| Overall | Outer shell | |
| Low resolution limit [Å] | 29.100 | 2.110 |
| High resolution limit [Å] | 2.000 | 2.000 |
| Rmerge | 0.117 | 0.397 |
| Number of reflections | 69098 | |
| <I/σ(I)> | 6.3 | 1.3 |
| Completeness [%] | 98.8 | 97.1 |
| Redundancy | 3 | 2.8 |
Crystallization Conditions
| crystal ID | method | pH | temperature | details |
| 1 | Vapor diffusion, hanging drop * | 7.5 | 22 % PEG 4000, 5 % ISOPROPANOL, 0.1 M HEPES PH 7.5 |
Crystallization Reagents in Literatures
| ID | crystal ID | solution | reagent name | concentration (unit) | details |
| 1 | 1 | reservoir | HEPES | 0.1 (M) | |
| 2 | 1 | reservoir | PEG4000 | 22 (%) | |
| 3 | 1 | reservoir | isopropanol | 5 (%) |
