4O0Q
Apo structure of a methyltransferase component involved in O-demethylation
Experimental procedure
Experimental method | SINGLE WAVELENGTH |
Source type | SYNCHROTRON |
Source details | DIAMOND BEAMLINE I24 |
Synchrotron site | Diamond |
Beamline | I24 |
Temperature [K] | 200 |
Detector technology | PIXEL |
Collection date | 2013-05-23 |
Detector | PSI PILATUS 6M |
Spacegroup name | P 21 21 2 |
Unit cell lengths | 90.670, 119.070, 58.150 |
Unit cell angles | 90.00, 90.00, 90.00 |
Refinement procedure
Resolution | 27.690 - 1.920 |
R-factor | 0.184 |
Rwork | 0.182 |
R-free | 0.22700 |
Structure solution method | MOLECULAR REPLACEMENT |
RMSD bond length | 0.025 |
RMSD bond angle | 1.913 |
Data reduction software | xia2 |
Data scaling software | xia2 |
Phasing software | BALBES |
Refinement software | REFMAC (5.5.0102) |
Data quality characteristics
Overall | Outer shell | |
Low resolution limit [Å] | 27.700 | 1.970 |
High resolution limit [Å] | 1.920 | 1.920 |
Number of reflections | 48906 | |
Completeness [%] | 100.0 | 100 |
Crystallization Conditions
crystal ID | method | pH | temperature | details |
1 | 7.5 | 277.15 | 100mM Tris pH 7.5, 100mM succinic acid, 15%(v/v) PEG3350, VAPOR DIFFUSION, SITTING DROP, temperature 277.15K |