7APE
Crystal structure of LpqY from Mycobacterium thermoresistible in complex with trehalose
Experimental procedure
| Experimental method | SINGLE WAVELENGTH |
| Source type | SYNCHROTRON |
| Source details | DIAMOND BEAMLINE I03 |
| Synchrotron site | Diamond |
| Beamline | I03 |
| Temperature [K] | 80 |
| Detector technology | PIXEL |
| Collection date | 2019-05-11 |
| Detector | DECTRIS EIGER2 XE 16M |
| Wavelength(s) | 0.97 |
| Spacegroup name | P 41 21 2 |
| Unit cell lengths | 92.361, 92.361, 216.577 |
| Unit cell angles | 90.00, 90.00, 90.00 |
Refinement procedure
| Resolution | 48.400 - 1.700 |
| R-factor | 0.17 |
| Rwork | 0.169 |
| R-free | 0.19590 |
| Structure solution method | MOLECULAR REPLACEMENT |
| Starting model (for MR) | LpqY iodide soak |
| RMSD bond length | 0.010 |
| RMSD bond angle | 1.060 |
| Data reduction software | XDS |
| Data scaling software | XDS |
| Phasing software | PHASER |
| Refinement software | PHENIX (1.15.2) |
Data quality characteristics
| Overall | Outer shell | |
| Low resolution limit [Å] | 54.100 | 1.760 |
| High resolution limit [Å] | 1.700 | 1.700 |
| Rpim | 0.570 | |
| Number of reflections | 102435 | 9278 |
| <I/σ(I)> | 15.16 | 1.2 |
| Completeness [%] | 98.7 | |
| Redundancy | 23 | |
| CC(1/2) | 0.999 |
Crystallization Conditions
| crystal ID | method | pH | temperature | details |
| 1 | VAPOR DIFFUSION, SITTING DROP | 6 | 292 | 0.1 M Hepes pH 6.0, 50 % w/v polypropylene glycol 400, 5 % DMSO, 1 mM TCEP |
