6SAR
E coli BepA/YfgC
Experimental procedure
Experimental method | SINGLE WAVELENGTH |
Source type | SYNCHROTRON |
Source details | DIAMOND BEAMLINE I03 |
Synchrotron site | Diamond |
Beamline | I03 |
Temperature [K] | 100 |
Detector technology | PIXEL |
Collection date | 2015-12-01 |
Detector | DECTRIS PILATUS3 S 6M |
Wavelength(s) | 1.28274 |
Spacegroup name | P 21 21 21 |
Unit cell lengths | 53.120, 77.020, 124.600 |
Unit cell angles | 90.00, 90.00, 90.00 |
Refinement procedure
Resolution | 77.020 - 2.180 |
R-factor | 0.1775 |
Rwork | 0.176 |
R-free | 0.20070 |
Structure solution method | MAD |
RMSD bond length | 0.006 |
RMSD bond angle | 0.997 |
Data reduction software | XDS |
Data scaling software | Aimless (0.5.17) |
Phasing software | SHELX |
Refinement software | REFMAC (5.8.0073) |
Data quality characteristics
Overall | Inner shell | Outer shell | |
Low resolution limit [Å] | 77.020 | 77.020 | 2.240 |
High resolution limit [Å] | 2.180 | 9.750 | 2.180 |
Rmerge | 0.116 | 0.061 | 0.616 |
Rmeas | 0.119 | 0.063 | 0.675 |
Rpim | 0.028 | 0.016 | 0.267 |
Total number of observations | 448076 | 5661 | 10809 |
Number of reflections | 27140 | 375 | 1800 |
<I/σ(I)> | 20.8 | 53.5 | 2.7 |
Completeness [%] | 98.9 | 99.9 | 91.5 |
Redundancy | 16.5 | 15.1 | 6 |
CC(1/2) | 0.999 | 0.998 | 0.817 |
Crystallization Conditions
crystal ID | method | pH | temperature | details |
1 | VAPOR DIFFUSION, SITTING DROP | 7 | 291 | 0.1 M Na HEPES, pH 7.0, and 8% w/v PEG 8,000 |