3RVO
Structure of CheY-Mn2+ Complex with substitutions at 59 and 89: N59D E89Y
Experimental procedure
| Experimental method | SINGLE WAVELENGTH |
| Source type | SYNCHROTRON |
| Source details | APS BEAMLINE 22-BM |
| Synchrotron site | APS |
| Beamline | 22-BM |
| Temperature [K] | 100 |
| Detector technology | CCD |
| Collection date | 2011-03-27 |
| Detector | MARMOSAIC 225 mm CCD |
| Wavelength(s) | 0.97933 |
| Spacegroup name | P 21 21 21 |
| Unit cell lengths | 45.364, 46.885, 53.524 |
| Unit cell angles | 90.00, 90.00, 90.00 |
Refinement procedure
| Resolution | 23.442 - 1.550 |
| R-factor | 0.1537 |
| Rwork | 0.152 |
| R-free | 0.18520 |
| Structure solution method | MOLECULAR REPLACEMENT |
| Starting model (for MR) | 3chy |
| RMSD bond length | 0.008 |
| RMSD bond angle | 1.193 |
| 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 | 1.580 |
| High resolution limit [Å] | 1.550 | 1.550 |
| Number of reflections | 17012 | |
| <I/σ(I)> | 19.4 | 6.1 |
| Completeness [%] | 98.5 | 97.8 |
| Redundancy | 5.1 | 4.3 |
Crystallization Conditions
| crystal ID | method | pH | temperature | details |
| 1 | VAPOR DIFFUSION, HANGING DROP | 6 | 298 | PEG 8000 30%, Na Cacodylate 100mM pH 6.0, Calcium Acetate 120mM, Glycerol 10% (v/v), 8.9 mg/mL CheY, VAPOR DIFFUSION, HANGING DROP, temperature 298K |
