6M81
Crystal structure of TylM1 Y14F bound to SAH and dTDP-phenol
Experimental procedure
Experimental method | SINGLE WAVELENGTH |
Source type | SYNCHROTRON |
Source details | APS BEAMLINE 21-ID-G |
Synchrotron site | APS |
Beamline | 21-ID-G |
Temperature [K] | 100 |
Detector technology | CCD |
Collection date | 2014-04-08 |
Detector | MARMOSAIC 300 mm CCD |
Wavelength(s) | 0.9786 |
Spacegroup name | P 1 21 1 |
Unit cell lengths | 73.897, 92.353, 80.561 |
Unit cell angles | 90.00, 106.44, 90.00 |
Refinement procedure
Resolution | 36.956 - 1.782 |
R-factor | 0.1769 |
Rwork | 0.175 |
R-free | 0.21180 |
Structure solution method | MOLECULAR REPLACEMENT |
Data reduction software | HKL-2000 |
Data scaling software | HKL-2000 |
Phasing software | PHASER |
Refinement software | PHENIX (1.13_2998) |
Data quality characteristics
Overall | Inner shell | Outer shell | |
Low resolution limit [Å] | 50.000 | 50.000 | 1.820 |
High resolution limit [Å] | 1.780 | 4.390 | 1.780 |
Rmerge | 0.064 | 0.039 | 0.309 |
Rmeas | 0.069 | 0.042 | 0.343 |
Rpim | 0.026 | 0.016 | 0.146 |
Total number of observations | 678249 | ||
Number of reflections | 96413 | 6470 | 5285 |
<I/σ(I)> | 14.9 | ||
Completeness [%] | 97.5 | 96.1 | 80.7 |
Redundancy | 7 | 6.6 | 4.6 |
CC(1/2) | 0.998 | 0.950 |
Crystallization Conditions
crystal ID | method | pH | temperature | details |
1 | VAPOR DIFFUSION, HANGING DROP | 7.46 | 298 | Precipitant:27% w/v PEG 3350, 20 mM sodium malonate, 1.25% v/v 2-propanol, 5.6 mM trimethylamine, 100 mM Hepes pH 7.46 Protein:20 mM sodium malonate pH 7.0, 100 mM sodium chloride, 5 mM AdoMet, 5 mM dTDP-phenol, 9 mg/mL TylM1 Y14F Protein:Precipitant 4:2uL |