7FDS
High resolution crystal structure of LpqH from Mycobacterium tuberculosis
Experimental procedure
Experimental method | SINGLE WAVELENGTH |
Source type | SYNCHROTRON |
Source details | ELETTRA BEAMLINE 11.2C |
Synchrotron site | ELETTRA |
Beamline | 11.2C |
Temperature [K] | 100 |
Detector technology | PIXEL |
Collection date | 2021-02-15 |
Detector | DECTRIS PILATUS 6M |
Wavelength(s) | 1.0 |
Spacegroup name | P 1 21 1 |
Unit cell lengths | 29.900, 78.510, 42.180 |
Unit cell angles | 90.00, 107.34, 90.00 |
Refinement procedure
Resolution | 28.557 - 1.258 |
Rwork | 0.143 |
R-free | 0.17790 |
Structure solution method | MOLECULAR REPLACEMENT |
Starting model (for MR) | 4zjm |
RMSD bond length | 0.026 |
RMSD bond angle | 2.402 |
Data reduction software | MOSFLM |
Data scaling software | Aimless |
Phasing software | MOLREP |
Refinement software | REFMAC (5.8.0267) |
Data quality characteristics
Overall | Outer shell | |
Low resolution limit [Å] | 28.557 | 1.280 |
High resolution limit [Å] | 1.258 | 1.258 |
Rmerge | 0.061 | 0.502 |
Rmeas | 0.078 | 0.649 |
Rpim | 0.047 | 0.407 |
Number of reflections | 49917 | 2627 |
<I/σ(I)> | 10.1 | |
Completeness [%] | 99.1 | 98 |
Redundancy | 4.5 | |
CC(1/2) | 0.997 | 0.811 |
Crystallization Conditions
crystal ID | method | pH | temperature | details |
1 | VAPOR DIFFUSION, SITTING DROP | 6.3 | 298 | 0.2M Ammonium sulphate, 20% PEG 3350 |