6HRD
Crystal structure of M. tuberculosis FadB2 (Rv0468)
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 | 2016-09-24 |
| Detector | DECTRIS PILATUS3 S 6M |
| Wavelength(s) | 0.92819 |
| Spacegroup name | P 43 |
| Unit cell lengths | 90.220, 90.220, 284.670 |
| Unit cell angles | 90.00, 90.00, 90.00 |
Refinement procedure
| Resolution | 90.200 - 2.110 |
| R-factor | 0.19172 |
| Rwork | 0.190 |
| R-free | 0.22135 |
| Structure solution method | MOLECULAR REPLACEMENT |
| Starting model (for MR) | 4kue |
| RMSD bond length | 0.013 |
| RMSD bond angle | 1.626 |
| Data reduction software | XDS |
| Data scaling software | XSCALE |
| Phasing software | PHASER |
| Refinement software | REFMAC (5.8.0230) |
Data quality characteristics
| Overall | Outer shell | |
| Low resolution limit [Å] | 90.200 | 2.160 |
| High resolution limit [Å] | 2.110 | 2.110 |
| Rmerge | 0.099 | 1.040 |
| Number of reflections | 129955 | |
| <I/σ(I)> | 13.8 | |
| Completeness [%] | 100.0 | 100 |
| Redundancy | 6.8 | 5.7 |
| CC(1/2) | 0.998 | 0.583 |
Crystallization Conditions
| crystal ID | method | pH | temperature | details |
| 1 | VAPOR DIFFUSION, SITTING DROP | 291 | 0.2 M ammonium citrate dibasic, 20 % w/v polyethyleneglycol 3350 |
