4OQD
Crystal structure of the tylM1 N,N-dimethyltransferase in complex with SAH and TDP-Qui3NMe2
Experimental procedure
Experimental method | SINGLE WAVELENGTH |
Source type | SYNCHROTRON |
Source details | APS BEAMLINE 19-BM |
Synchrotron site | APS |
Beamline | 19-BM |
Temperature [K] | 100 |
Detector technology | CCD |
Collection date | 2012-12-12 |
Detector | ADSC QUANTUM 210r |
Wavelength(s) | 0.98789 |
Spacegroup name | P 1 21 1 |
Unit cell lengths | 73.532, 92.050, 80.177 |
Unit cell angles | 90.00, 106.10, 90.00 |
Refinement procedure
Resolution | 41.240 - 1.600 |
R-factor | 0.18231 |
Rwork | 0.181 |
R-free | 0.21602 |
Structure solution method | PHASER |
Starting model (for MR) | 3pfh |
RMSD bond length | 0.010 |
RMSD bond angle | 2.025 |
Data reduction software | HKL-3000 |
Data scaling software | HKL-3000 |
Phasing software | PHASER |
Refinement software | REFMAC (5.7.0029) |
Data quality characteristics
Overall | Outer shell | |
Low resolution limit [Å] | 50.000 | 1.630 |
High resolution limit [Å] | 1.600 | 1.600 |
Rmerge | 0.069 | 0.176 |
Number of reflections | 123048 | |
<I/σ(I)> | 43.2 | 4.3 |
Completeness [%] | 91.6 | 79.6 |
Redundancy | 4.3 | 2.4 |
Crystallization Conditions
crystal ID | method | pH | temperature | details |
1 | batch | 9 | 293 | 15-20% PEG3400, 200 mM sodium chloride, 5 mM S-adenosylhomocysteine, 10 mM TDP-3-N,N-dimethylamino-3,6-dideoxyglucose, pH 9, batch, temperature 293K |