4HL6
YfdE from Escherichia coli
Experimental procedure
| Experimental method | SINGLE WAVELENGTH |
| Source type | SYNCHROTRON |
| Source details | APS BEAMLINE 21-ID-G |
| Synchrotron site | APS |
| Beamline | 21-ID-G |
| Temperature [K] | 100 |
| Detector technology | CCD |
| Collection date | 2012-07-27 |
| Detector | MARMOSAIC 300 mm CCD |
| Wavelength(s) | 0.97856 |
| Spacegroup name | C 1 2 1 |
| Unit cell lengths | 111.422, 79.527, 276.189 |
| Unit cell angles | 90.00, 99.95, 90.00 |
Refinement procedure
| Resolution | 42.479 - 2.120 |
| R-factor | 0.191 |
| Rwork | 0.189 |
| R-free | 0.23610 |
| Structure solution method | MOLECULAR REPLACEMENT |
| Starting model (for MR) | 4ed9 |
| RMSD bond length | 0.003 |
| RMSD bond angle | 0.770 |
| Data reduction software | DENZO |
| Data scaling software | SCALEPACK |
| Phasing software | PHENIX (1.7.3_928) |
| Refinement software | PHENIX (1.7.3_928) |
Data quality characteristics
| Overall | Inner shell | Outer shell | |
| Low resolution limit [Å] | 50.000 | 50.000 | 2.160 |
| High resolution limit [Å] | 2.120 | 5.750 | 2.120 |
| Rmerge | 0.080 | 0.035 | 0.506 |
| Number of reflections | 107843 | ||
| <I/σ(I)> | 16.2 | 41.2 | 2.2 |
| Completeness [%] | 79.8 | 99.6 | 73.7 |
| Redundancy | 3.2 | 3.7 | 3.1 |
Crystallization Conditions
| crystal ID | method | pH | temperature | details |
| 1 | VAPOR DIFFUSION, HANGING DROP | 8.5 | 295 | 20% (w/v) PEG-8000, 0.1 M Tris-HCl, 0.2 M magnesium chloride, pH 8.5, VAPOR DIFFUSION, HANGING DROP, temperature 295K |
