5JIJ
Structure of Mycobacterium thermoresistibile trehalose-6-phosphate synthase (APO form).
Experimental procedure
| Experimental method | SINGLE WAVELENGTH |
| Source type | SYNCHROTRON |
| Source details | DIAMOND BEAMLINE I04 |
| Synchrotron site | Diamond |
| Beamline | I04 |
| Temperature [K] | 100 |
| Detector technology | PIXEL |
| Collection date | 2013-12-11 |
| Detector | DECTRIS PILATUS 6M-F |
| Wavelength(s) | 0.9795 |
| Spacegroup name | I 41 2 2 |
| Unit cell lengths | 126.860, 126.860, 207.190 |
| Unit cell angles | 90.00, 90.00, 90.00 |
Refinement procedure
| Resolution | 60.657 - 1.820 |
| R-factor | 0.1657 |
| Rwork | 0.165 |
| R-free | 0.18550 |
| Structure solution method | MOLECULAR REPLACEMENT |
| Starting model (for MR) | 1uqu |
| RMSD bond length | 0.007 |
| RMSD bond angle | 1.009 |
| Data reduction software | iMOSFLM |
| Data scaling software | Aimless (0.1.26) |
| Phasing software | PHASER (2.5.3) |
| Refinement software | PHENIX (1.9_1692) |
Data quality characteristics
| Overall | Inner shell | Outer shell | |
| Low resolution limit [Å] | 60.660 | 60.660 | 1.860 |
| High resolution limit [Å] | 1.820 | 9.100 | 1.820 |
| Rmerge | 0.119 | 0.055 | 0.745 |
| Rmeas | 0.125 | ||
| Rpim | 0.037 | ||
| Total number of observations | 833006 | ||
| Number of reflections | 75576 | ||
| <I/σ(I)> | 9.5 | ||
| Completeness [%] | 100.0 | 99.7 | 100 |
| Redundancy | 11 | 9.8 | 11.3 |
| CC(1/2) | 0.998 |
Crystallization Conditions
| crystal ID | method | pH | temperature | details |
| 1 | VAPOR DIFFUSION, SITTING DROP | 10 | 291 | 0.1M CHES pH 10 0.7M sodium potassium tartrate 10% v/v ethylene glycol. |
