3SEZ
Crystal structure of C176A mutant of glutamine-dependent NAD+ synthetase from M. tuberculosis in complex with ATP and NaAD+
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 | ADSC QUANTUM 315r |
Wavelength(s) | 0.98 |
Spacegroup name | P 41 21 2 |
Unit cell lengths | 178.407, 178.407, 216.303 |
Unit cell angles | 90.00, 90.00, 90.00 |
Refinement procedure
Resolution | 34.330 - 2.653 |
R-factor | 0.1746 |
Rwork | 0.172 |
R-free | 0.21420 |
Structure solution method | MOLECULAR REPLACEMENT |
Starting model (for MR) | 3dla |
RMSD bond length | 0.014 |
RMSD bond angle | 1.535 |
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 | 2.740 |
High resolution limit [Å] | 2.650 | 2.650 |
Number of reflections | 99130 | |
<I/σ(I)> | 27.4 | 4.4 |
Completeness [%] | 98.1 | 91 |
Redundancy | 14.2 | 8.9 |
Crystallization Conditions
crystal ID | method | pH | temperature | details |
1 | EVAPORATION | 7.5 | 288 | 1.4 M ammonium citrate tribasic dihydrate, 10 % glycerol, pH 7.5, EVAPORATION, temperature 288K |