2YFA
X-ray structure of McpS ligand binding domain in complex with malate
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 | 2009-11-21 |
| Detector | ADSC QUANTUM 210r |
| Spacegroup name | C 1 2 1 |
| Unit cell lengths | 226.350, 45.850, 51.180 |
| Unit cell angles | 90.00, 95.81, 90.00 |
Refinement procedure
| Resolution | 24.308 - 1.800 |
| R-factor | 0.211 |
| Rwork | 0.209 |
| R-free | 0.25130 |
| Structure solution method | SAD |
| Starting model (for MR) | NONE |
| RMSD bond length | 0.006 |
| RMSD bond angle | 0.884 |
| Data reduction software | XDS |
| Data scaling software | XSCALE |
| Phasing software | SHELXCD |
| Refinement software | PHENIX ((PHENIX.REFINE)) |
Data quality characteristics
| Overall | Outer shell | |
| Low resolution limit [Å] | 24.300 | 1.850 |
| High resolution limit [Å] | 1.800 | 1.800 |
| Rmerge | 0.090 | 0.590 |
| Number of reflections | 47287 | |
| <I/σ(I)> | 13.96 | 2.49 |
| Completeness [%] | 96.8 | 94.8 |
| Redundancy | 3.79 | 3.6 |
Crystallization Conditions
| crystal ID | method | pH | temperature | details |
| 1 | 4.8 | 20% PEG 4000, 0.25 M (NH4)2SO4 AND 100 MM SODIUM ACETATE, PH 4.8 |
