3ZOA
The structure of Trehalose Synthase (TreS) of Mycobacterium smegmatis in complex with acarbose
Experimental procedure
| Experimental method | SINGLE WAVELENGTH |
| Source type | SYNCHROTRON |
| Source details | SSRL BEAMLINE BL12-2 |
| Synchrotron site | SSRL |
| Beamline | BL12-2 |
| Temperature [K] | 100 |
| Detector technology | PIXEL |
| Collection date | 2012-07-21 |
| Detector | DECTRIS PILATUS |
| Spacegroup name | I 41 |
| Unit cell lengths | 127.180, 127.180, 216.950 |
| Unit cell angles | 90.00, 90.00, 90.00 |
Refinement procedure
| Resolution | 34.816 - 1.850 |
| R-factor | 0.1658 |
| Rwork | 0.165 |
| R-free | 0.19810 |
| Structure solution method | MOLECULAR REPLACEMENT |
| Starting model (for MR) | 2ze0 |
| RMSD bond length | 0.007 |
| RMSD bond angle | 1.113 |
| Data reduction software | XDS |
| Data scaling software | XDS |
| Phasing software | PHASER |
| Refinement software | PHENIX ((PHENIX.REFINE: 1.8.1_1168)) |
Data quality characteristics
| Overall | Outer shell | |
| Low resolution limit [Å] | 35.000 | 1.900 |
| High resolution limit [Å] | 1.850 | 1.850 |
| Rmerge | 0.080 | 0.680 |
| Number of reflections | 143054 | |
| <I/σ(I)> | 17 | 2.83 |
| Completeness [%] | 98.0 | 94 |
| Redundancy | 7 | 4.6 |
Crystallization Conditions
| crystal ID | method | pH | temperature | details |
| 1 | 0.1 M SODIUM CACODYLATE BUFFER PH 6.5, 0.2 M MGCL2, 10% PEG 1000, 100 MM ACARBOSE |
