5N5D
Crystal Structure of the O-Methyltransferase TomG from Streptomyces achromogenes involved in Tomaymycin synthesis in complex with SAM
Experimental procedure
Experimental method | SINGLE WAVELENGTH |
Source type | SYNCHROTRON |
Source details | PETRA III, DESY BEAMLINE P11 |
Synchrotron site | PETRA III, DESY |
Beamline | P11 |
Temperature [K] | 100 |
Detector technology | PIXEL |
Collection date | 2016-11-02 |
Detector | DECTRIS PILATUS 6M |
Wavelength(s) | 1.033 |
Spacegroup name | P 21 21 21 |
Unit cell lengths | 67.597, 75.877, 86.784 |
Unit cell angles | 90.00, 90.00, 90.00 |
Refinement procedure
Resolution | 50.470 - 1.550 |
R-factor | 0.1486 |
Rwork | 0.148 |
R-free | 0.16610 |
Structure solution method | MOLECULAR REPLACEMENT |
Starting model (for MR) | 3cbg |
RMSD bond length | 0.004 |
RMSD bond angle | 0.715 |
Data reduction software | XDS (May 1, 2016) |
Data scaling software | XDS (May 1, 2016) |
Phasing software | PHASER (2.7.16) |
Refinement software | PHENIX ((dev_2608: ???)) |
Data quality characteristics
Overall | Outer shell | |
Low resolution limit [Å] | 50.470 | 1.580 |
High resolution limit [Å] | 1.550 | 1.550 |
Rmeas | 0.079 | 1.691 |
Number of reflections | 65091 | |
<I/σ(I)> | 22.9 | 1.7 |
Completeness [%] | 99.6 | 98.7 |
Redundancy | 13.2 | 13 |
CC(1/2) | 1.000 | 0.783 |
Crystallization Conditions
crystal ID | method | pH | temperature | details |
1 | VAPOR DIFFUSION, SITTING DROP | 7.3 | 295 | 2.1 M NH4(SO4)2, 0.1 M Li2SO4, 0.1 M Hepes pH 7.3 |