3SDB
Crystal structure of C176A mutant of glutamine-dependent NAD+ synthetase from M. tuberculosis in apo form
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 |
| Detector technology | CCD |
| Collection date | 2008-03-29 |
| Detector | ADSC QUANTUM 315 |
| Wavelength(s) | 0.97949 |
| Spacegroup name | I 4 2 2 |
| Unit cell lengths | 179.937, 179.937, 98.716 |
| Unit cell angles | 90.00, 90.00, 90.00 |
Refinement procedure
| Resolution | 44.538 - 2.002 |
| R-factor | 0.1644 |
| Rwork | 0.163 |
| R-free | 0.19550 |
| Structure solution method | MOLECULAR REPLACEMENT |
| Starting model (for MR) | 3dla |
| RMSD bond length | 0.020 |
| RMSD bond angle | 1.724 |
| Data reduction software | HKL-2000 |
| Data scaling software | HKL-2000 |
| Phasing software | PHASER (phenix) |
| Refinement software | PHENIX ((phenix.refine: 1.7.1_743)) |
Data quality characteristics
| Overall | Outer shell | |
| Low resolution limit [Å] | 50.000 | 2.070 |
| High resolution limit [Å] | 2.000 | 2.000 |
| Number of reflections | 54362 | |
| <I/σ(I)> | 34.7 | 4.9 |
| Completeness [%] | 99.9 | 100 |
| Redundancy | 8.1 | 8.2 |
Crystallization Conditions
| crystal ID | method | pH | temperature | details |
| 1 | EVAPORATION | 7 | 293 | 1.6 M ammonium citrate tribasic dihydrate, 5 % glycerol, pH 7.0, EVAPORATION, temperature 293K |
