8ZFW
norbelladine 4'-O-methyltransferase S52T Y186F complexed with Mg and SAH
This is a non-PDB format compatible entry.
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 | 2023-03-04 |
Detector | DECTRIS EIGER X 4M |
Wavelength(s) | 1.03500 |
Spacegroup name | P 21 21 2 |
Unit cell lengths | 80.501, 116.587, 50.297 |
Unit cell angles | 90.00, 90.00, 90.00 |
Refinement procedure
Resolution | 47.210 - 2.180 |
R-factor | 0.1784 |
Rwork | 0.175 |
R-free | 0.21350 |
Structure solution method | MOLECULAR REPLACEMENT |
RMSD bond length | 0.004 |
RMSD bond angle | 0.673 |
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] | 47.210 | 2.250 |
High resolution limit [Å] | 2.180 | 2.180 |
Rmerge | 0.088 | 0.943 |
Number of reflections | 47598 | 2153 |
<I/σ(I)> | 17 | 2.3 |
Completeness [%] | 100.0 | 100 |
Redundancy | 8.2 | 8.6 |
CC(1/2) | 0.999 | 0.758 |
Crystallization Conditions
crystal ID | method | pH | temperature | details |
1 | VAPOR DIFFUSION, SITTING DROP | 9 | 293 | 12% (w/v) PEG 8000, 0.2M MgCl2, 0.1M Tris-HCl (pH 9.0) |