5K41
Structure of Mycobacterium thermoresistibile trehalose-6-phosphate synthase in a complex with ADP-glucose.
Experimental procedure
| Experimental method | SINGLE WAVELENGTH |
| Source type | SYNCHROTRON |
| Source details | DIAMOND BEAMLINE I24 |
| Synchrotron site | Diamond |
| Beamline | I24 |
| Temperature [K] | 100 |
| Detector technology | PIXEL |
| Collection date | 2014-03-09 |
| Detector | DECTRIS PILATUS3 6M |
| Wavelength(s) | 0.96862 |
| Spacegroup name | I 41 2 2 |
| Unit cell lengths | 127.412, 127.412, 205.620 |
| Unit cell angles | 90.00, 90.00, 90.00 |
Refinement procedure
| Resolution | 90.094 - 1.971 |
| R-factor | 0.1664 |
| Rwork | 0.165 |
| R-free | 0.19110 |
| Structure solution method | MOLECULAR REPLACEMENT |
| Starting model (for MR) | 5jij |
| RMSD bond length | 0.007 |
| RMSD bond angle | 1.042 |
| Data reduction software | XDS |
| Data scaling software | Aimless (0.2.17) |
| Phasing software | PHASER (2.5.3) |
| Refinement software | PHENIX |
Data quality characteristics
| Overall | Inner shell | Outer shell | |
| Low resolution limit [Å] | 102.810 | 102.810 | 2.200 |
| High resolution limit [Å] | 1.970 | 4.410 | 1.970 |
| Rmerge | 0.163 | 0.095 | 0.689 |
| Rmeas | 0.170 | ||
| Rpim | 0.048 | ||
| Total number of observations | 753000 | ||
| Number of reflections | 59763 | ||
| <I/σ(I)> | 9.5 | ||
| Completeness [%] | 100.0 | 100 | 99.9 |
| Redundancy | 12.6 | 11.3 | 12.9 |
| CC(1/2) | 0.996 |
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. |
