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 |
