3LDU
The crystal structure of a possible methylase from Clostridium difficile 630.
Experimental procedure
Experimental method | SINGLE WAVELENGTH |
Source type | SYNCHROTRON |
Source details | APS BEAMLINE 19-ID |
Synchrotron site | APS |
Beamline | 19-ID |
Temperature [K] | 100 |
Detector technology | CCD |
Collection date | 2009-10-20 |
Detector | ADSC QUANTUM 315 |
Wavelength(s) | 0.97929 |
Spacegroup name | P 1 21 1 |
Unit cell lengths | 42.059, 74.047, 64.061 |
Unit cell angles | 90.00, 104.15, 90.00 |
Refinement procedure
Resolution | 23.795 - 1.700 |
R-factor | 0.1742 |
Rwork | 0.172 |
R-free | 0.21050 |
Structure solution method | SAD |
RMSD bond length | 0.007 |
RMSD bond angle | 1.062 |
Data reduction software | HKL-3000 |
Data scaling software | HKL-3000 |
Phasing software | SHELXD |
Refinement software | PHENIX ((phenix.refine: 1.5_2)) |
Data quality characteristics
Overall | Outer shell | |
Low resolution limit [Å] | 23.800 | 1.730 |
High resolution limit [Å] | 1.700 | 1.700 |
Rmerge | 0.069 | 0.807 |
Number of reflections | 41197 | |
<I/σ(I)> | 35.9 | 1.88 |
Completeness [%] | 98.4 | 98.1 |
Redundancy | 5 | 4.6 |
Crystallization Conditions
crystal ID | method | pH | temperature | details |
1 | VAPOR DIFFUSION, SITTING DROP | 6.5 | 289 | 0.1M MES, 15% PEG 400, pH 6.5, VAPOR DIFFUSION, SITTING DROP, temperature 289K |