4L9F
Structure of a SeMet derivative of PpsR Q-PAS1 from Rb. sphaeroides
Experimental procedure
| Experimental method | SINGLE WAVELENGTH |
| Source type | SYNCHROTRON |
| Source details | SLS BEAMLINE X10SA |
| Synchrotron site | SLS |
| Beamline | X10SA |
| Temperature [K] | 100 |
| Detector technology | PIXEL |
| Collection date | 2012-05-04 |
| Detector | PSI PILATUS 6M |
| Wavelength(s) | 0.9794 |
| Spacegroup name | P 61 2 2 |
| Unit cell lengths | 50.610, 50.610, 163.530 |
| Unit cell angles | 90.00, 90.00, 120.00 |
Refinement procedure
| Resolution | 42.300 - 2.500 |
| R-factor | 0.1954 |
| Rwork | 0.193 |
| R-free | 0.23730 |
| Structure solution method | SAD |
| RMSD bond length | 0.009 |
| RMSD bond angle | 1.192 |
| Data reduction software | XDS |
| Data scaling software | XSCALE |
| Phasing software | PHENIX-AutoSol |
| Refinement software | PHENIX (1.8.2_1309) |
Data quality characteristics
| Overall | Inner shell | Outer shell | |
| Low resolution limit [Å] | 50.000 | 50.000 | 2.600 |
| High resolution limit [Å] | 2.500 | 10.000 | 2.500 |
| Rmerge | 0.038 | 0.770 | |
| Number of reflections | 4783 | 128 | 887 |
| <I/σ(I)> | 26.87 | 85.41 | 6.43 |
| Completeness [%] | 100.0 | 100 | 99.8 |
| Redundancy | 40.8 |
Crystallization Conditions
| crystal ID | method | pH | temperature | details |
| 1 | VAPOR DIFFUSION, HANGING DROP | 6.5 | 293 | 3% (w/v) PEG 4000, 0.2 M magnesium chloride, 0.1 M 2-(N-morpholino)ethanesulfonic acid, 5 mM dithioerythritol, pH 6.5, VAPOR DIFFUSION, HANGING DROP, temperature 293K |
