3LX6
Crystal structure of putative dna cytosine methylase from shigella flexneri 2a str. 2457T
Experimental procedure
Experimental method | SINGLE WAVELENGTH |
Source type | SYNCHROTRON |
Source details | APS BEAMLINE 24-ID-E |
Synchrotron site | APS |
Beamline | 24-ID-E |
Temperature [K] | 100 |
Detector technology | CCD |
Collection date | 2009-11-05 |
Detector | ADSC QUANTUM 315 |
Wavelength(s) | 0.9793 |
Spacegroup name | C 1 2 1 |
Unit cell lengths | 122.957, 83.807, 113.236 |
Unit cell angles | 90.00, 118.51, 90.00 |
Refinement procedure
Resolution | 31.260 - 2.290 |
R-factor | 0.245 |
Rwork | 0.243 |
R-free | 0.28800 |
Structure solution method | SAD |
RMSD bond length | 0.015 |
RMSD bond angle | 1.463 |
Data reduction software | DENZO |
Data scaling software | SCALEPACK |
Phasing software | SHELXD |
Refinement software | REFMAC |
Data quality characteristics
Overall | Inner shell | Outer shell | |
Low resolution limit [Å] | 50.000 | 50.000 | 2.340 |
High resolution limit [Å] | 2.290 | 6.240 | 2.300 |
Rmerge | 0.083 | 0.062 | 0.392 |
Number of reflections | 43909 | ||
<I/σ(I)> | 12.4 | ||
Completeness [%] | 96.8 | 89.7 | 98.2 |
Redundancy | 3.2 | 3.1 | 3.2 |
Crystallization Conditions
crystal ID | method | pH | temperature | details |
1 | VAPOR DIFFUSION, SITTING DROP | 7.5 | 298 | 0.1 M Hepes pH 7.5, 10% PEG 8K, 8% Ethylene Glycol, Vapor diffusion, Sitting drop, temperature 298K |