8XE5
norbelladine 4'-O-methyltransferase complexed with Mg, SAH, and 3,4-dihydroxybenzaldehyde
Experimental procedure
Experimental method | SINGLE WAVELENGTH |
Source type | SYNCHROTRON |
Source details | PHOTON FACTORY BEAMLINE BL-1A |
Synchrotron site | Photon Factory |
Beamline | BL-1A |
Temperature [K] | 100 |
Detector technology | PIXEL |
Collection date | 2022-06-14 |
Detector | DECTRIS EIGER X 4M |
Wavelength(s) | 1.04800 |
Spacegroup name | P 1 21 1 |
Unit cell lengths | 64.328, 79.901, 91.286 |
Unit cell angles | 90.00, 93.86, 90.00 |
Refinement procedure
Resolution | 45.540 - 2.070 |
R-factor | 0.1929 |
Rwork | 0.191 |
R-free | 0.22540 |
Structure solution method | MOLECULAR REPLACEMENT |
RMSD bond length | 0.002 |
RMSD bond angle | 0.529 |
Data reduction software | XDS |
Data scaling software | Aimless |
Phasing software | PHASER |
Refinement software | PHENIX (1.17.1_3660) |
Data quality characteristics
Overall | Outer shell | |
Low resolution limit [Å] | 45.540 | 2.130 |
High resolution limit [Å] | 2.070 | 2.070 |
Rmerge | 0.120 | 0.606 |
Number of reflections | 107759 | 4364 |
<I/σ(I)> | 8.5 | 2.2 |
Completeness [%] | 99.8 | 99.9 |
Redundancy | 4.2 | 4.3 |
CC(1/2) | 0.989 | 0.687 |
Crystallization Conditions
crystal ID | method | pH | temperature | details |
1 | VAPOR DIFFUSION, SITTING DROP | 8 | 293 | 17% (w/v) PEG 8000, 0.2M MgCl2, 0.1M Tris-HCl (pH 8.0) |