7UX6
Crystal structure of MfnG, an L- and D-tyrosine O-methyltransferase from the marformycin biosynthesis pathway of Streptomyces drozdowiczii, with SAH bound at 1.35 A resolution (P212121 - form I)
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 | 64.059, 78.229, 131.680 |
| Unit cell angles | 90.00, 90.00, 90.00 |
Refinement procedure
| Resolution | 33.630 - 1.350 |
| R-factor | 0.167 |
| Rwork | 0.166 |
| R-free | 0.19000 |
| Structure solution method | MOLECULAR REPLACEMENT |
| Starting model (for MR) | 2r3s |
| RMSD bond length | 0.006 |
| RMSD bond angle | 0.801 |
| Data reduction software | XDS (Jan 31, 2020) |
| Data scaling software | Aimless (0.7.4) |
| Phasing software | PHASER (2.8.3) |
| Refinement software | PHENIX (1.19.2) |
Data quality characteristics
| Overall | Inner shell | Outer shell | |
| Low resolution limit [Å] | 67.256 | 1.926 | 1.429 |
| High resolution limit [Å] | 1.311 | 1.864 | 1.311 |
| Rmerge | 0.051 | 0.161 | 0.708 |
| Rmeas | 0.053 | 0.168 | 0.788 |
| Rpim | 0.015 | 0.045 | 0.338 |
| Total number of observations | 1262670 | 70294 | 26440 |
| Number of reflections | 101542 | 5074 | 5080 |
| <I/σ(I)> | 19.4 | 10.52 | 1.71 |
| Completeness [%] | 94.2 | 99.2 | 62.5 |
| Redundancy | 12.43 | 13.85 | 5.2 |
| CC(1/2) | 0.999 | 0.997 | 0.806 |
Crystallization Conditions
| crystal ID | method | pH | temperature | details |
| 1 | VAPOR DIFFUSION, SITTING DROP | 293 | 0.2 M ammonium formate, 20% (w/v) PEG 3350, Additive: 0.002 M S-Adenosyl methionine (SAM/AdoMet) |
