3DLA
X-ray crystal structure of glutamine-dependent NAD+ synthetase from Mycobacterium tuberculosis bound to NaAD+ and DON
Experimental procedure
| Experimental method | SINGLE WAVELENGTH |
| Source type | SYNCHROTRON |
| Source details | APS BEAMLINE 24-ID-C |
| Synchrotron site | APS |
| Beamline | 24-ID-C |
| Temperature [K] | 100 |
| Wavelength(s) | 0.97949 |
| Spacegroup name | P 41 21 2 |
| Unit cell lengths | 178.130, 178.130, 215.177 |
| Unit cell angles | 90.00, 90.00, 90.00 |
Refinement procedure
| Resolution | 29.700 - 2.350 |
| R-factor | 0.18743 |
| Rwork | 0.184 |
| R-free | 0.24566 |
| Structure solution method | SAD |
| RMSD bond length | 0.015 |
| RMSD bond angle | 1.659 |
| Data reduction software | HKL-2000 |
| Data scaling software | HKL-2000 |
| Phasing software | SOLVE |
| Refinement software | REFMAC (5.2.0019) |
Data quality characteristics
| Overall | Outer shell | |
| Low resolution limit [Å] | 29.700 | 2.410 |
| High resolution limit [Å] | 2.350 | 2.350 |
| Number of reflections | 142287 | |
| Completeness [%] | 99.3 | 99 |
| Redundancy | 11.4 | 5.3 |
Crystallization Conditions
| crystal ID | method | pH | temperature | details |
| 1 | VAPOR DIFFUSION | 7 | 293 | 1.8 M ammonium citrate tribasic dihydrate, 5 % glycerol, pH 7.0, VAPOR DIFFUSION, temperature 293K |
