7VB8
SbSOMT in complex with resveratrol and nicotinamide adenine dinucleotide(NAD+)
Experimental procedure
Experimental method | SINGLE WAVELENGTH |
Source type | SYNCHROTRON |
Source details | SSRF BEAMLINE BL19U1 |
Synchrotron site | SSRF |
Beamline | BL19U1 |
Temperature [K] | 100 |
Detector technology | PIXEL |
Collection date | 2020-12-05 |
Detector | PSI PILATUS 6M |
Wavelength(s) | 0.97853 |
Spacegroup name | P 31 2 1 |
Unit cell lengths | 96.831, 96.831, 168.038 |
Unit cell angles | 90.00, 90.00, 120.00 |
Refinement procedure
Resolution | 48.462 - 1.720 |
Rwork | 0.163 |
R-free | 0.18930 |
Structure solution method | MOLECULAR REPLACEMENT |
Starting model (for MR) | MrBUMP generated chimeric model |
RMSD bond length | 0.010 |
RMSD bond angle | 1.639 |
Data reduction software | XDS |
Data scaling software | Aimless |
Phasing software | PHASER |
Refinement software | REFMAC (5.8.0352) |
Data quality characteristics
Overall | Outer shell | |
Low resolution limit [Å] | 48.462 | 1.750 |
High resolution limit [Å] | 1.720 | 1.720 |
Rmerge | 0.060 | 0.941 |
Rmeas | 0.063 | 1.010 |
Rpim | 0.020 | 0.357 |
Number of reflections | 97225 | 4621 |
<I/σ(I)> | 30.2 | 2.9 |
Completeness [%] | 99.8 | 97.1 |
Redundancy | 19.4 | 14.6 |
CC(1/2) | 1.000 | 0.849 |
Crystallization Conditions
crystal ID | method | pH | temperature | details |
1 | VAPOR DIFFUSION, SITTING DROP | 4.6 | 291 | 0.1 M sodium acetate pH 4.6, 0.2 M sodium acetate , 0.2 M ammonium chloride, 2.5% (w/v) polyethylene glycol 4000 |