2YFB
X-ray structure of McpS ligand binding domain in complex with succinate
Experimental procedure
| Experimental method | SINGLE WAVELENGTH |
| Source type | SYNCHROTRON |
| Source details | ESRF BEAMLINE BM16 |
| Synchrotron site | ESRF |
| Beamline | BM16 |
| Temperature [K] | 100 |
| Detector technology | CCD |
| Collection date | 2009-11-25 |
| Detector | ADSC QUANTUM 210r |
| Spacegroup name | C 1 2 1 |
| Unit cell lengths | 226.067, 46.039, 50.823 |
| Unit cell angles | 90.00, 95.92, 90.00 |
Refinement procedure
| Resolution | 19.911 - 1.900 |
| R-factor | 0.2071 |
| Rwork | 0.204 |
| R-free | 0.27170 |
| Structure solution method | MOLECULAR REPLACEMENT |
| Starting model (for MR) | 2yfa |
| RMSD bond length | 0.007 |
| RMSD bond angle | 0.942 |
| Data reduction software | DENZO |
| Data scaling software | SCALEPACK |
| Phasing software | MOLREP |
| Refinement software | PHENIX ((PHENIX.REFINE: 1.7_650)) |
Data quality characteristics
| Overall | Outer shell | |
| Low resolution limit [Å] | 20.000 | 1.970 |
| High resolution limit [Å] | 1.900 | 1.900 |
| Rmerge | 0.140 | 0.410 |
| Number of reflections | 40558 | |
| <I/σ(I)> | 6.97 | 2.8 |
| Completeness [%] | 97.3 | 99.5 |
| Redundancy | 3.4 | 3.3 |
Crystallization Conditions
| crystal ID | method | pH | temperature | details |
| 1 | 5 | 20% PEG 4000, 0.25 M (NH4)2SO4 AND 100 MM SODIUM ACETATE, PH 4.8 |
