3RVQ
Structure of the CheY-Mn2+ Complex with substitutions at 59 and 89: N59D E89K
Experimental procedure
| Experimental method | SINGLE WAVELENGTH |
| Source type | SYNCHROTRON |
| Source details | APS BEAMLINE 22-ID |
| Synchrotron site | APS |
| Beamline | 22-ID |
| Temperature [K] | 100 |
| Detector technology | CCD |
| Collection date | 2010-11-07 |
| Detector | MARMOSAIC 300 mm CCD |
| Wavelength(s) | 1.00882 |
| Spacegroup name | P 1 21 1 |
| Unit cell lengths | 29.723, 43.399, 46.308 |
| Unit cell angles | 90.00, 103.30, 90.00 |
Refinement procedure
| Resolution | 27.373 - 1.150 |
| R-factor | 0.1099 |
| Rwork | 0.109 |
| R-free | 0.12540 |
| Structure solution method | MOLECULAR REPLACEMENT |
| Starting model (for MR) | 3chy |
| RMSD bond length | 0.007 |
| RMSD bond angle | 1.251 |
| Data reduction software | HKL-2000 |
| Data scaling software | HKL-2000 |
| Phasing software | PHASER |
| Refinement software | PHENIX ((phenix.refine: 1.7_650)) |
Data quality characteristics
| Overall | Outer shell | |
| Low resolution limit [Å] | 50.000 | 1.170 |
| High resolution limit [Å] | 1.150 | 1.150 |
| Number of reflections | 40251 | |
| <I/σ(I)> | 15.7 | 4.5 |
| Completeness [%] | 98.6 | 81.7 |
| Redundancy | 3.5 | 2.2 |
Crystallization Conditions
| crystal ID | method | pH | temperature | details |
| 1 | VAPOR DIFFUSION, HANGING DROP | 6 | 298 | PEG 8000 28% (w/v), Na Cacodylate 100 mM pH 6.0, Calcium Acetate 120mM, Glycerol 10% (v/v), 4.6 mg/mL CheY, VAPOR DIFFUSION, HANGING DROP, temperature 298K |
