8JAD
Crystal structure of Mycobacterium tuberculosis LpqY in complex with trehalose analogue YB-17
Experimental procedure
Experimental method | SINGLE WAVELENGTH |
Source type | SYNCHROTRON |
Source details | SSRF BEAMLINE BL19U1 |
Synchrotron site | SSRF |
Beamline | BL19U1 |
Temperature [K] | 100 |
Detector technology | PIXEL |
Collection date | 2020-02-11 |
Detector | DECTRIS PILATUS3 6M |
Wavelength(s) | 0.978 |
Spacegroup name | P 21 21 21 |
Unit cell lengths | 57.591, 63.000, 143.407 |
Unit cell angles | 90.00, 90.00, 90.00 |
Refinement procedure
Resolution | 47.330 - 2.300 |
Rwork | 0.216 |
R-free | 0.26000 |
Structure solution method | MOLECULAR REPLACEMENT |
RMSD bond length | 0.009 |
RMSD bond angle | 0.763 |
Data reduction software | XDS |
Data scaling software | XSCALE |
Phasing software | PHASER |
Refinement software | PHENIX (1.17.1_3660: ???) |
Data quality characteristics
Overall | Outer shell | |
Low resolution limit [Å] | 50.000 | 2.340 |
High resolution limit [Å] | 2.280 | 2.280 |
Rmerge | 0.127 | |
Number of reflections | 23864 | 2323 |
<I/σ(I)> | 13.06 | |
Completeness [%] | 99.1 | |
Redundancy | 12.7 | |
CC(1/2) | 0.998 | 0.774 |
Crystallization Conditions
crystal ID | method | pH | temperature | details |
1 | VAPOR DIFFUSION, SITTING DROP | 7 | 293 | 50 mM Magnesium sulfate hydrate, 50 mM HEPES sodium pH 7.0 and 1.6 M Lithium sulfate monohydrate |