6OFC
Crystal structure of M. tuberculosis glutamine-dependent NAD+ synthetase complexed with Sulfonamide derivative 1, pyrophosphate, and glutamine
Experimental procedure
Experimental method | SINGLE WAVELENGTH |
Source type | SYNCHROTRON |
Source details | SSRL BEAMLINE BL9-2 |
Synchrotron site | SSRL |
Beamline | BL9-2 |
Temperature [K] | 100 |
Detector technology | CCD |
Collection date | 2010-03-16 |
Detector | MARMOSAIC 325 mm CCD |
Wavelength(s) | 0.98 |
Spacegroup name | P 41 21 2 |
Unit cell lengths | 179.270, 179.270, 208.180 |
Unit cell angles | 90.00, 90.00, 90.00 |
Refinement procedure
Resolution | 36.090 - 3.140 |
R-factor | 0.1886 |
Rwork | 0.186 |
R-free | 0.23530 |
Structure solution method | MOLECULAR REPLACEMENT |
Starting model (for MR) | 3dla |
RMSD bond length | 0.007 |
RMSD bond angle | 0.947 |
Data reduction software | XDS |
Data scaling software | SCALA |
Phasing software | PHENIX |
Refinement software | PHENIX (1.16_3549) |
Data quality characteristics
Overall | Outer shell | |
Low resolution limit [Å] | 39.560 | 3.310 |
High resolution limit [Å] | 3.140 | 3.140 |
Rmerge | 0.181 | |
Number of reflections | 58806 | 8258 |
<I/σ(I)> | 12.9 | 3.5 |
Completeness [%] | 99.0 | 96.4 |
Redundancy | 11.2 | 8.7 |
Crystallization Conditions
crystal ID | method | pH | temperature | details |
1 | VAPOR DIFFUSION, HANGING DROP | 8 | 288 | 1.6 M AMMONIUM CITRATE TRIBASIC DIHYDRATE, 10 % GLYCEROL |