2EFJ
The structure of 1,7 dimethylxanthine methyltransferase
Experimental procedure
Experimental method | SINGLE WAVELENGTH |
Source type | SYNCHROTRON |
Source details | ESRF BEAMLINE ID14-4 |
Synchrotron site | ESRF |
Beamline | ID14-4 |
Temperature [K] | 100 |
Detector technology | CCD |
Collection date | 2005-11-01 |
Detector | ADSC QUANTUM 4 |
Wavelength(s) | 0.9393 |
Spacegroup name | C 2 2 21 |
Unit cell lengths | 50.160, 105.630, 140.950 |
Unit cell angles | 90.00, 90.00, 90.00 |
Refinement procedure
Resolution | 30.000 - 2.000 |
Rwork | 0.220 |
R-free | 0.27600 |
Structure solution method | SAD |
RMSD bond length | 0.012 |
RMSD bond angle | 1.564 |
Data reduction software | XDS |
Data scaling software | XSCALE |
Phasing software | SHARP |
Refinement software | REFMAC (5.2.0019) |
Data quality characteristics
Overall | Outer shell | |
Low resolution limit [Å] | 30.000 | 2.100 |
High resolution limit [Å] | 2.000 | 2.000 |
Rmerge | 0.053 | 0.502 |
Number of reflections | 25506 | |
<I/σ(I)> | 15.6 | 3.2 |
Completeness [%] | 97.2 | 90.2 |
Crystallization Conditions
crystal ID | method | pH | temperature | details |
1 | VAPOR DIFFUSION, HANGING DROP | 8.5 | 293 | 23-28% PEG 3350, 200mM Li2SO4, 100mM Tris-HCl, 2mM DTT, 1mM SAH, 1mM Theobromine, pH 8.5, VAPOR DIFFUSION, HANGING DROP, temperature 293K |