5JIO
Structure of Mycobacterium thermoresistibile trehalose-6-phosphate synthase ternary complex with ADP and Glucose-6-phosphate.
Experimental procedure
| Experimental method | SINGLE WAVELENGTH |
| Source type | SYNCHROTRON |
| Source details | DIAMOND BEAMLINE I04-1 |
| Synchrotron site | Diamond |
| Beamline | I04-1 |
| Temperature [K] | 100 |
| Detector technology | PIXEL |
| Collection date | 2015-04-25 |
| Detector | DECTRIS PILATUS 2M |
| Wavelength(s) | 0.916 |
| Spacegroup name | P 62 2 2 |
| Unit cell lengths | 105.357, 105.357, 158.866 |
| Unit cell angles | 90.00, 90.00, 120.00 |
Refinement procedure
| Resolution | 91.000 - 1.711 |
| R-factor | 0.1535 |
| Rwork | 0.152 |
| R-free | 0.17860 |
| Structure solution method | MOLECULAR REPLACEMENT |
| Starting model (for MR) | 5jij |
| RMSD bond length | 0.007 |
| RMSD bond angle | 1.092 |
| Data reduction software | XDS |
| Data scaling software | Aimless (0.3.11) |
| Phasing software | PHASER (2.5.6) |
| Refinement software | PHENIX |
Data quality characteristics
| Overall | Inner shell | Outer shell | |
| Low resolution limit [Å] | 91.240 | 91.240 | 1.870 |
| High resolution limit [Å] | 1.710 | 4.190 | 1.710 |
| Rmerge | 0.098 | 0.058 | 0.821 |
| Rmeas | 0.101 | ||
| Rpim | 0.023 | ||
| Total number of observations | 1030194 | ||
| Number of reflections | 56816 | ||
| <I/σ(I)> | 19.1 | ||
| Completeness [%] | 100.0 | 100 | 100 |
| Redundancy | 18.1 | 17.9 | 14.5 |
| CC(1/2) | 0.999 |
Crystallization Conditions
| crystal ID | method | pH | temperature | details |
| 1 | VAPOR DIFFUSION, SITTING DROP | 8.5 | 291 | 1M Ammonium Phosphate dibasic 0.1M Tris |
