3EFB
Crystal Structure of Probable sor Operon Regulator from Shigella flexneri
Experimental procedure
| Experimental method | MAD |
| Source type | SYNCHROTRON |
| Source details | APS BEAMLINE 19-BM |
| Synchrotron site | APS |
| Beamline | 19-BM |
| Temperature [K] | 100 |
| Detector technology | CCD |
| Collection date | 2008-02-18 |
| Detector | SBC-3 |
| Wavelength(s) | 0.9793, 0.9795 |
| Spacegroup name | P 21 21 2 |
| Unit cell lengths | 69.536, 238.463, 53.759 |
| Unit cell angles | 90.00, 90.00, 90.00 |
Refinement procedure
| Resolution | 33.378 - 2.001 |
| R-factor | 0.203 |
| Rwork | 0.200 |
| R-free | 0.24900 |
| Structure solution method | MAD |
| RMSD bond length | 0.009 |
| RMSD bond angle | 1.164 |
| Data reduction software | HKL-3000 |
| Data scaling software | HKL-3000 |
| Phasing software | HKL-3000 |
| Refinement software | PHENIX ((phenix.refine)/refmac5.5) |
Data quality characteristics
| Overall | Outer shell | |
| Low resolution limit [Å] | 33.380 | 2.030 |
| High resolution limit [Å] | 2.000 | 2.000 |
| Rmerge | 0.057 | 0.386 |
| Number of reflections | 61178 | 1528 |
| <I/σ(I)> | 6.6 | 2 |
| Completeness [%] | 97.3 | 49.9 |
| Redundancy | 8.7 | 5.8 |
Crystallization Conditions
| crystal ID | method | pH | temperature | details |
| 1 | VAPOR DIFFUSION, HANGING DROP | 6.5 | 295 | 0.2M calsium acetate, 9% PEG 8000, 0.1M sodium cacodylate pH 6.5, VAPOR DIFFUSION, HANGING DROP, temperature 295K |
