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 |
