8JAA
Crystal structure of Mycobacterium tuberculosis LpqY in complex with trehalose analogue YB-04
Experimental procedure
Experimental method | SINGLE WAVELENGTH |
Source type | SYNCHROTRON |
Source details | SSRF BEAMLINE BL17U1 |
Synchrotron site | SSRF |
Beamline | BL17U1 |
Temperature [K] | 100 |
Detector technology | PIXEL |
Collection date | 2019-12-14 |
Detector | DECTRIS EIGER X 16M |
Wavelength(s) | 0.979 |
Spacegroup name | P 21 21 21 |
Unit cell lengths | 58.075, 65.808, 143.773 |
Unit cell angles | 90.00, 90.00, 90.00 |
Refinement procedure
Resolution | 26.570 - 1.700 |
Rwork | 0.173 |
R-free | 0.20400 |
Structure solution method | MOLECULAR REPLACEMENT |
RMSD bond length | 0.017 |
RMSD bond angle | 1.346 |
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 | 1.740 |
High resolution limit [Å] | 1.700 | 1.700 |
Number of reflections | 61357 | 6042 |
<I/σ(I)> | 11.18 | |
Completeness [%] | 99.1 | |
Redundancy | 3.3 | |
CC(1/2) | 0.997 | 0.882 |
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 |