6C8Q
Crystal structure of NAD synthetase (NadE) from Enterococcus faecalis in complex with NAD+
Experimental procedure
| Experimental method | SINGLE WAVELENGTH |
| Source type | ROTATING ANODE |
| Source details | RIGAKU MICROMAX-007 HF |
| Temperature [K] | 100 |
| Detector technology | IMAGE PLATE |
| Collection date | 2017-07-20 |
| Detector | RIGAKU RAXIS IV++ |
| Wavelength(s) | 1.5418 |
| Spacegroup name | P 1 21 1 |
| Unit cell lengths | 85.445, 85.165, 175.811 |
| Unit cell angles | 90.00, 94.54, 90.00 |
Refinement procedure
| Resolution | 24.776 - 2.583 |
| R-factor | 0.1888 |
| Rwork | 0.188 |
| R-free | 0.23900 |
| Structure solution method | MOLECULAR REPLACEMENT |
| Starting model (for MR) | 5huj |
| RMSD bond length | 0.002 |
| RMSD bond angle | 0.540 |
| Data reduction software | HKL-3000 |
| Data scaling software | HKL-3000 |
| Phasing software | PHENIX |
| Refinement software | PHENIX ((dev_2733: ???)) |
Data quality characteristics
| Overall | Outer shell | |
| Low resolution limit [Å] | 25.000 | 2.640 |
| High resolution limit [Å] | 2.600 | 2.600 |
| Rmerge | 0.117 | 0.723 |
| Rpim | 0.076 | 0.495 |
| Number of reflections | 77971 | 3667 |
| <I/σ(I)> | 7.8 | 0.83 |
| Completeness [%] | 99.2 | 94.9 |
| Redundancy | 3.2 | |
| CC(1/2) | 0.651 |
Crystallization Conditions
| crystal ID | method | pH | temperature | details |
| 1 | VAPOR DIFFUSION, SITTING DROP | 5.5 | 298 | 0.1 M Bis-tris pH 5.5, 0.2 M magnesium chloride, 25% (w/v) PEG3350, 10 mM NAD+ |
