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 |