3P52
NH3-dependent NAD synthetase from Campylobacter jejuni subsp. jejuni NCTC 11168 in complex with the nitrate ion
Experimental procedure
| Experimental method | MOLECULAR REPLACEMENT |
| Source type | SYNCHROTRON |
| Source details | APS BEAMLINE 21-ID-G |
| Synchrotron site | APS |
| Beamline | 21-ID-G |
| Temperature [K] | 100 |
| Detector technology | CCD |
| Collection date | 2010-07-31 |
| Detector | MARMOSAIC 300 mm CCD |
| Wavelength(s) | 0.97857 |
| Spacegroup name | P 3 2 1 |
| Unit cell lengths | 120.945, 120.945, 91.795 |
| Unit cell angles | 90.00, 90.00, 120.00 |
Refinement procedure
| Resolution | 30.000 - 2.740 |
| R-factor | 0.21084 |
| Rwork | 0.209 |
| R-free | 0.24451 |
| Structure solution method | MOLECULAR REPLACEMENT |
| Starting model (for MR) | 1xnh |
| RMSD bond length | 0.016 |
| RMSD bond angle | 1.653 |
| Data reduction software | HKL-2000 |
| Data scaling software | HKL-2000 |
| Phasing software | MrBUMP |
| Refinement software | REFMAC (5.5.0109) |
Data quality characteristics
| Overall | Outer shell | |
| Low resolution limit [Å] | 30.000 | 2.800 |
| High resolution limit [Å] | 2.740 | 2.740 |
| Rmerge | 0.076 | 0.882 |
| Number of reflections | 20690 | |
| <I/σ(I)> | 23.2 | 2.3 |
| Completeness [%] | 100.0 | 100 |
| Redundancy | 7.6 | 7.7 |
Crystallization Conditions
| crystal ID | method | pH | temperature | details |
| 1 | VAPOR DIFFUSION, HANGING DROP | 6.5 | 295 | 4.25 M NaNitrate, 0.1 M Bis-Tris, 10 mM NAD, pH 6.5, VAPOR DIFFUSION, HANGING DROP, temperature 295K |
