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 |