8BAQ
E. coli C7 DarT1 in complex with NAD+
Experimental procedure
| Experimental method | SINGLE WAVELENGTH |
| Source type | SYNCHROTRON |
| Source details | DIAMOND BEAMLINE I03 |
| Synchrotron site | Diamond |
| Beamline | I03 |
| Temperature [K] | 100 |
| Detector technology | PIXEL |
| Collection date | 2022-02-24 |
| Detector | DECTRIS EIGER2 XE 16M |
| Wavelength(s) | 0.976254 |
| Spacegroup name | P 31 2 1 |
| Unit cell lengths | 62.308, 62.308, 113.081 |
| Unit cell angles | 90.00, 90.00, 120.00 |
Refinement procedure
| Resolution | 54.018 - 2.000 |
| Rwork | 0.196 |
| R-free | 0.24830 |
| Structure solution method | MOLECULAR REPLACEMENT |
| Starting model (for MR) | 7omw |
| RMSD bond length | 0.004 |
| RMSD bond angle | 1.171 |
| Data reduction software | DIALS |
| Data scaling software | Aimless |
| Phasing software | PHASER |
| Refinement software | REFMAC (5.8.0352) |
Data quality characteristics
| Overall | Outer shell | |
| Low resolution limit [Å] | 54.018 | 2.050 |
| High resolution limit [Å] | 2.000 | 2.000 |
| Rmerge | 0.115 | 1.223 |
| Rmeas | 0.143 | 1.527 |
| Rpim | 0.084 | 0.723 |
| Number of reflections | 17764 | 1267 |
| <I/σ(I)> | 5.8 | 0.7 |
| Completeness [%] | 99.9 | 99.9 |
| Redundancy | 4.4 | 4.4 |
| CC(1/2) | 0.997 | 0.615 |
Crystallization Conditions
| crystal ID | method | pH | temperature | details |
| 1 | VAPOR DIFFUSION, SITTING DROP | 5.5 | 294 | 4.0M Sodium Formate, 0.1M Sodium Acetate pH 5.5 |
