4TRN
STRUCTURE OF INHA FROM MYCOBACTERIUM TUBERCULOSIS COMPLEXED TO NADH
Experimental procedure
| Experimental method | SINGLE WAVELENGTH |
| Source type | SYNCHROTRON |
| Source details | SOLEIL BEAMLINE PROXIMA 1 |
| Synchrotron site | SOLEIL |
| Beamline | PROXIMA 1 |
| Temperature [K] | 100 |
| Detector technology | PIXEL |
| Collection date | 2013-04 |
| Detector | PSI PILATUS 6M |
| Wavelength(s) | 0.8856 |
| Spacegroup name | P 62 2 2 |
| Unit cell lengths | 98.110, 98.110, 139.160 |
| Unit cell angles | 90.00, 90.00, 120.00 |
Refinement procedure
| Resolution | 49.060 - 1.950 |
| R-factor | 0.1818 |
| Rwork | 0.181 |
| R-free | 0.20010 |
| Structure solution method | MOLECULAR REPLACEMENT |
| Starting model (for MR) | 1eny |
| RMSD bond length | 0.009 |
| RMSD bond angle | 1.030 |
| Data reduction software | XDS |
| Data scaling software | XSCALE |
| Phasing software | BUSTER-TNT |
| Refinement software | REFMAC (2.10.0) |
Data quality characteristics
| Overall | Outer shell | |
| Low resolution limit [Å] | 49.060 | 2.070 |
| High resolution limit [Å] | 1.950 | 1.950 |
| Rmerge | 0.837 | |
| Number of reflections | 29499 | |
| <I/σ(I)> | 29.24 | 3.99 |
| Completeness [%] | 99.7 | 98.3 |
| Redundancy | 10.7 | 10.3 |
Crystallization Conditions
| crystal ID | method | pH | temperature | details |
| 1 | VAPOR DIFFUSION, HANGING DROP | 6.8 | 293 | 8-10 % (v/v) 2-methyl-2,4-pentanediol, 0.1 M sodium citrate, 0.1 M Na HEPES |
