6OVT
Crystal Structure of IlvD from Mycobacterium tuberculosis
Experimental procedure
| Experimental method | SINGLE WAVELENGTH |
| Source type | SYNCHROTRON |
| Source details | APS BEAMLINE 21-ID-D |
| Synchrotron site | APS |
| Beamline | 21-ID-D |
| Temperature [K] | 100 |
| Detector technology | PIXEL |
| Collection date | 2017-06-21 |
| Detector | DECTRIS EIGER X 9M |
| Wavelength(s) | 1.07822 |
| Spacegroup name | P 61 |
| Unit cell lengths | 88.406, 88.406, 483.307 |
| Unit cell angles | 90.00, 90.00, 120.00 |
Refinement procedure
| Resolution | 80.550 - 1.880 |
| R-factor | 0.1618 |
| Rwork | 0.160 |
| R-free | 0.20110 |
| Structure solution method | MAD |
| RMSD bond length | 0.010 |
| RMSD bond angle | 1.577 |
| Data reduction software | XDS (20161205) |
| Data scaling software | Aimless (0.5.32) |
| Phasing software | SHELX |
| Refinement software | REFMAC (5.8.0238) |
Data quality characteristics
| Overall | Inner shell | Outer shell | |
| Low resolution limit [Å] | 96.660 | 96.660 | 1.980 |
| High resolution limit [Å] | 1.880 | 5.950 | 1.880 |
| Rmerge | 0.106 | 0.043 | 0.883 |
| Rmeas | 0.111 | 0.045 | 0.923 |
| Rpim | 0.033 | 0.013 | 0.265 |
| Total number of observations | 2009748 | 65807 | 302942 |
| Number of reflections | 171641 | 5517 | 24995 |
| <I/σ(I)> | 15.3 | 45.7 | 2.5 |
| Completeness [%] | 100.0 | 100 | 100 |
| Redundancy | 11.7 | 11.9 | 12.1 |
| CC(1/2) | 0.999 | 0.999 | 0.820 |
Crystallization Conditions
| crystal ID | method | pH | temperature | details |
| 1 | VAPOR DIFFUSION, SITTING DROP | 7.5 | 298 | 0.2 M MgCl2, 20% polyethylene glycol 3,350 |
