6KV3
Crystal Structure of NAD+ Synthetase from Staphylococcus aureus
Experimental procedure
| Experimental method | SINGLE WAVELENGTH |
| Source type | ROTATING ANODE |
| Source details | RIGAKU MICROMAX-007 |
| Temperature [K] | 100 |
| Detector technology | IMAGE PLATE |
| Collection date | 2012-11-09 |
| Detector | MAR scanner 345 mm plate |
| Wavelength(s) | 1.5 |
| Spacegroup name | P 1 21 1 |
| Unit cell lengths | 50.979, 107.714, 93.986 |
| Unit cell angles | 90.00, 96.72, 90.00 |
Refinement procedure
| Resolution | 46.671 - 2.300 |
| R-factor | 0.2135 |
| Rwork | 0.211 |
| R-free | 0.26740 |
| Structure solution method | MOLECULAR REPLACEMENT |
| Starting model (for MR) | 1nsy |
| Data reduction software | DIALS |
| Data scaling software | Aimless |
| Phasing software | MOLREP |
| Refinement software | PHENIX (1.15.2_3472) |
Data quality characteristics
| Overall | Outer shell | |
| Low resolution limit [Å] | 70.540 | 2.380 |
| High resolution limit [Å] | 2.300 | 2.300 |
| Rmerge | 0.055 | 0.092 |
| Rmeas | 0.065 | 0.106 |
| Rpim | 0.033 | 0.052 |
| Number of reflections | 44717 | 4382 |
| <I/σ(I)> | 20 | 12.3 |
| Completeness [%] | 99.7 | 100 |
| Redundancy | 4.1 | 4.1 |
| CC(1/2) | 0.992 | 0.991 |
Crystallization Conditions
| crystal ID | method | pH | temperature | details |
| 1 | MICROBATCH | 7.5 | 293 | 200 mM Calcium chloride, 100mM Tris-HCl pH7.5, 22% PEG 4000, |
