7UX7
Crystal structure of MfnG, an L- and D-tyrosine O-methyltransferase from the marformycin biosynthesis pathway of Streptomyces drozdowiczii, with SAH bound at 1.2 A resolution (P212121 - form II)
Experimental procedure
Experimental method | SINGLE WAVELENGTH |
Source type | SYNCHROTRON |
Source details | APS BEAMLINE 21-ID-D |
Synchrotron site | APS |
Beamline | 21-ID-D |
Temperature [K] | 100 |
Detector technology | PIXEL |
Collection date | 2021-02-10 |
Detector | DECTRIS EIGER X 9M |
Wavelength(s) | 0.9762 |
Spacegroup name | P 21 21 21 |
Unit cell lengths | 60.694, 86.334, 134.504 |
Unit cell angles | 90.00, 90.00, 90.00 |
Refinement procedure
Resolution | 35.180 - 1.140 |
R-factor | 0.121 |
Rwork | 0.119 |
R-free | 0.14200 |
Structure solution method | MOLECULAR REPLACEMENT |
Starting model (for MR) | 7ux6 |
RMSD bond length | 0.013 |
RMSD bond angle | 1.350 |
Data reduction software | XDS (Jan 31, 2020) |
Data scaling software | Aimless (0.7.4) |
Phasing software | PHASER (2.8.3) |
Refinement software | PHENIX (1.20.1) |
Data quality characteristics
Overall | Outer shell | |
Low resolution limit [Å] | 72.655 | 1.204 |
High resolution limit [Å] | 1.139 | 1.139 |
Rmerge | 0.143 | 1.568 |
Rmeas | 0.145 | 1.603 |
Rpim | 0.025 | 0.322 |
Total number of observations | 7017400 | 247895 |
Number of reflections | 214260 | 10668 |
<I/σ(I)> | 15.13 | 2.17 |
Completeness [%] | 89.6 | 42.5 |
Redundancy | 32.75 | 23.24 |
CC(1/2) | 0.996 | 0.727 |
Crystallization Conditions
crystal ID | method | pH | temperature | details |
1 | VAPOR DIFFUSION, SITTING DROP | 8 | 293 | 0.1 M Tris pH 8, 30% Polyethylene glycol monomethyl ether (PEG MME) 2000, Additive: 0.002 M S-Adenosyl methionine (SAM/AdoMet) |