6M82
Crystal structure of TylM1 Y14paF 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 | IMAGE PLATE |
Collection date | 2014-07-01 |
Detector | MAR scanner 300 mm plate |
Wavelength(s) | 0.9786 |
Spacegroup name | I 2 2 2 |
Unit cell lengths | 64.556, 91.574, 93.386 |
Unit cell angles | 90.00, 90.00, 90.00 |
Refinement procedure
Resolution | 34.967 - 1.397 |
R-factor | 0.1503 |
Rwork | 0.149 |
R-free | 0.17250 |
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 | 1.430 |
High resolution limit [Å] | 1.397 | 3.530 | 1.400 |
Rmerge | 0.038 | 0.023 | 0.575 |
Rmeas | 0.039 | 0.023 | 0.663 |
Rpim | 0.010 | 0.006 | 0.316 |
Number of reflections | 53915 | 3581 | 2596 |
<I/σ(I)> | 19.2 | ||
Completeness [%] | 98.1 | 98.6 | 76 |
Redundancy | 13.1 | 13.6 | 3.4 |
CC(1/2) | 1.000 | 0.733 |
Crystallization Conditions
crystal ID | method | pH | temperature | details |
1 | VAPOR DIFFUSION, HANGING DROP | 7.3 | 298 | Precipitant: 23% w/v PEG 3350, 20 mM sodium malonate, 1% v/v 2-propanol, 4.5 mM trimethylamine, 100 mM Hepes pH 7.3 Protein:20 mM sodium malonate pH 7.0, 100 mM sodium chloride, 5 mM AdoMet, 5 mM dTDP-phenol, 12 mg/mL TylM1 Y14paF Protein:Precipitant 4:2uL |