8Z8P
norbelladine 4'-O-methyltransferase S52M variant complexed with Mg and SAH
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 1 21 1 |
Unit cell lengths | 64.494, 79.948, 91.634 |
Unit cell angles | 90.00, 93.72, 90.00 |
Refinement procedure
Resolution | 45.720 - 1.680 |
R-factor | 0.1569 |
Rwork | 0.156 |
R-free | 0.17900 |
Structure solution method | MOLECULAR REPLACEMENT |
RMSD bond length | 0.007 |
RMSD bond angle | 0.927 |
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] | 45.720 | 1.710 |
High resolution limit [Å] | 1.680 | 1.680 |
Rmerge | 0.071 | 0.567 |
Number of reflections | 105592 | 5229 |
<I/σ(I)> | 12.1 | 2.1 |
Completeness [%] | 99.8 | 99.3 |
Redundancy | 4.3 | 4.4 |
CC(1/2) | 0.998 | 0.735 |
Crystallization Conditions
crystal ID | method | pH | temperature | details |
1 | VAPOR DIFFUSION, SITTING DROP | 8 | 293 | 26% (w/v) PEG 8000, 0.2M MgCl2, 0.1M Tris-HCl (pH 8.0) |