6GFV
M tuberculosis LpqI
Experimental procedure
Experimental method | SINGLE WAVELENGTH |
Source type | SYNCHROTRON |
Source details | DIAMOND BEAMLINE I04-1 |
Synchrotron site | Diamond |
Beamline | I04-1 |
Temperature [K] | 100 |
Detector technology | PIXEL |
Collection date | 2015-07-13 |
Detector | DECTRIS PILATUS3 6M |
Wavelength(s) | 0.92820 |
Spacegroup name | C 1 2 1 |
Unit cell lengths | 121.821, 89.579, 87.107 |
Unit cell angles | 90.00, 125.54, 90.00 |
Refinement procedure
Resolution | 70.882 - 1.960 |
R-factor | 0.2191 |
Rwork | 0.217 |
R-free | 0.26750 |
Structure solution method | MOLECULAR REPLACEMENT |
Starting model (for MR) | 4yyf |
RMSD bond length | 0.008 |
RMSD bond angle | 1.168 |
Data reduction software | XDS |
Data scaling software | Aimless (0.5.1) |
Phasing software | PHASER |
Refinement software | PHENIX |
Data quality characteristics
Overall | Inner shell | Outer shell | |
Low resolution limit [Å] | 70.900 | 70.880 | 2.070 |
High resolution limit [Å] | 1.960 | 6.200 | 1.960 |
Rmerge | 0.149 | 0.052 | 0.709 |
Rmeas | 0.176 | 0.061 | 0.869 |
Rpim | 0.091 | 0.032 | 0.494 |
Total number of observations | 6608 | 23658 | |
Number of reflections | 54634 | 1793 | 7939 |
<I/σ(I)> | 5.6 | 13.5 | 1.4 |
Completeness [%] | 99.9 | 99.9 | 99.9 |
Redundancy | 3.6 | 3.7 | 3 |
CC(1/2) | 0.989 | 0.993 | 0.612 |
Crystallization Conditions
crystal ID | method | pH | temperature | details |
1 | VAPOR DIFFUSION, SITTING DROP | 7 | 291 | 1.1M Sodium Malonate 0.1M Hepes 0.5% w/v Jeffamine ED-2001 |