7KMY
Structure of Mtb Lpd bound to 010705
Experimental procedure
Experimental method | SINGLE WAVELENGTH |
Source type | SYNCHROTRON |
Source details | APS BEAMLINE 24-ID-C |
Synchrotron site | APS |
Beamline | 24-ID-C |
Temperature [K] | 100 |
Detector technology | PIXEL |
Collection date | 2019-12-16 |
Detector | DECTRIS PILATUS 6M-F |
Wavelength(s) | 0.9791 |
Spacegroup name | P 21 21 21 |
Unit cell lengths | 107.506, 178.524, 226.445 |
Unit cell angles | 90.00, 90.00, 90.00 |
Refinement procedure
Resolution | 113.220 - 2.210 |
R-factor | 0.1828 |
Rwork | 0.181 |
R-free | 0.21850 |
Structure solution method | MOLECULAR REPLACEMENT |
Starting model (for MR) | 4m52 |
RMSD bond length | 0.002 |
RMSD bond angle | 0.500 |
Data reduction software | HKL-2000 |
Data scaling software | SCALEPACK |
Phasing software | PHENIX |
Refinement software | PHENIX (1.18.2_3874) |
Data quality characteristics
Overall | Outer shell | |
Low resolution limit [Å] | 113.220 | 2.290 |
High resolution limit [Å] | 2.210 | 2.210 |
Rmerge | 0.143 | 0.544 |
Rmeas | 0.162 | 0.638 |
Rpim | 0.073 | 0.324 |
Number of reflections | 210765 | 19437 |
<I/σ(I)> | 10.5 | 2.7 |
Completeness [%] | 96.9 | 90 |
Redundancy | 4.2 | 3.2 |
CC(1/2) | 0.988 | 0.456 |
Crystallization Conditions
crystal ID | method | pH | temperature | details |
1 | VAPOR DIFFUSION, HANGING DROP | 8.5 | 291 | Lpd (200 micromolar), inhibitor 13 (300 micromolar) and 600 micromolar NADH were mixed and incubated on ice for 10 min prior to crystallization at 18 C by hanging drop vapor diffusion against a well solution containing 100 mM Tris pH 8.5, 50 mM NaCl, 15% PEG 10000 (w/v), 14% Glycerol. Crystals were cryo-protected by addition of 25% glycerol and flash-cooled in liquid nitrogen. |