3RVL
Structure of the CheY-BeF3 Complex with substitutions at 59 and 89: N59D and E89R
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 2 21 |
| Unit cell lengths | 37.630, 72.436, 107.280 |
| Unit cell angles | 90.00, 90.00, 90.00 |
Refinement procedure
| Resolution | 25.922 - 1.550 |
| R-factor | 0.1569 |
| Rwork | 0.156 |
| R-free | 0.18210 |
| Structure solution method | MOLECULAR REPLACEMENT |
| Starting model (for MR) | 1fqw |
| RMSD bond length | 0.015 |
| RMSD bond angle | 1.588 |
| 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 | 43539 | |
| <I/σ(I)> | 18.85 | 3.05 |
| Completeness [%] | 99.3 | 96.5 |
| Redundancy | 5.6 | 4 |
Crystallization Conditions
| crystal ID | method | pH | temperature | details |
| 1 | VAPOR DIFFUSION, HANGING DROP | 8.25 | 298 | Ammonium Sulfate 2.5M, Tris 100mM pH 8.25, Glycerol 5% (v/v), MnCl2 20mM, BeCl2 1mM, NaF 10mM, 4.25mg/mL CheY, VAPOR DIFFUSION, HANGING DROP, temperature 298K |
