5BRP
Crystal structure of Bacillus licheniformis trehalose-6-phosphate hydrolase (TreA), mutant R201Q, in complex with PNG
Experimental procedure
| Experimental method | SINGLE WAVELENGTH |
| Source type | SYNCHROTRON |
| Source details | NSRRC BEAMLINE BL15A1 |
| Synchrotron site | NSRRC |
| Beamline | BL15A1 |
| Temperature [K] | 100 |
| Detector technology | CCD |
| Collection date | 2014-05-13 |
| Detector | RAYONIX MX300HE |
| Wavelength(s) | 0.985 |
| Spacegroup name | P 1 |
| Unit cell lengths | 60.252, 97.388, 108.539 |
| Unit cell angles | 80.30, 88.15, 72.18 |
Refinement procedure
| Resolution | 30.000 - 2.050 |
| R-factor | 0.1714 |
| Rwork | 0.171 |
| R-free | 0.21400 |
| Structure solution method | MOLECULAR REPLACEMENT |
| Starting model (for MR) | 5brq |
| RMSD bond length | 0.008 |
| RMSD bond angle | 1.091 |
| Phasing software | AUTOMAR (1.8.1_1168) |
| Refinement software | PHENIX (1.8.1_1168) |
Data quality characteristics
| Overall | |
| Low resolution limit [Å] | 30.000 |
| High resolution limit [Å] | 2.050 |
| Number of reflections | 141603 |
| <I/σ(I)> | 32 |
| Completeness [%] | 97.5 |
| Redundancy | 3.7 |
Crystallization Conditions
| crystal ID | method | pH | temperature | details |
| 1 | VAPOR DIFFUSION, HANGING DROP | 298 | 20% (w/v) PEG 3350, 0.1 M magnesium acetate hexahydrate, 2% Tacsimate (pH 4.0) |
