3RVP
Structure of the CheY-BeF3 Complex with substitutions at 59 and 89: N59D and 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 21 21 21 |
| Unit cell lengths | 53.487, 53.626, 160.416 |
| Unit cell angles | 90.00, 90.00, 90.00 |
Refinement procedure
| Resolution | 44.580 - 2.404 |
| R-factor | 0.1775 |
| Rwork | 0.173 |
| R-free | 0.21470 |
| Structure solution method | MOLECULAR REPLACEMENT |
| Starting model (for MR) | 1fqw |
| RMSD bond length | 0.007 |
| RMSD bond angle | 1.058 |
| 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 | 2.440 |
| High resolution limit [Å] | 2.400 | 2.400 |
| Number of reflections | 18144 | |
| <I/σ(I)> | 22.3 | 2.57 |
| Completeness [%] | 96.9 | 70.7 |
| Redundancy | 6.4 | 3.1 |
Crystallization Conditions
| crystal ID | method | pH | temperature | details |
| 1 | VAPOR DIFFUSION, HANGING DROP | 7.5 | 298 | Ammonium Sulfate 2.6M, Tris 100mM pH 7.5, Glycerol 5% (v/v), MnCl2 20mM, BeCl2 1mM, NaF 10mM, 4.6mg/mL, VAPOR DIFFUSION, HANGING DROP, temperature 298K |
