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 |
