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 |