6DFE
The structure of a ternary complex of E. coli WaaC
Experimental procedure
| Experimental method | SINGLE WAVELENGTH |
| Source type | SYNCHROTRON |
| Source details | ALS BEAMLINE 5.0.2 |
| Synchrotron site | ALS |
| Beamline | 5.0.2 |
| Temperature [K] | 100 |
| Detector technology | CCD |
| Collection date | 2017-09-17 |
| Detector | ADSC QUANTUM 315r |
| Wavelength(s) | 1.00001 |
| Spacegroup name | P 21 21 21 |
| Unit cell lengths | 80.820, 92.330, 94.940 |
| Unit cell angles | 90.00, 90.00, 90.00 |
Refinement procedure
| Resolution | 40.090 - 2.310 |
| R-factor | 0.2082 |
| Rwork | 0.206 |
| R-free | 0.24620 |
| Structure solution method | MOLECULAR REPLACEMENT |
| Starting model (for MR) | 2h1h |
| RMSD bond length | 0.014 |
| RMSD bond angle | 1.736 |
| Data reduction software | xia2 |
| Data scaling software | Aimless (0.5.32) |
| Phasing software | PHASER |
| Refinement software | REFMAC |
Data quality characteristics
| Overall | Inner shell | Outer shell | |
| Low resolution limit [Å] | 40.090 | 40.090 | 2.390 |
| High resolution limit [Å] | 2.310 | 8.950 | 2.310 |
| Rmerge | 0.073 | 0.021 | 0.907 |
| Rmeas | 0.079 | 0.023 | 0.999 |
| Rpim | 0.029 | 0.009 | 0.413 |
| Total number of observations | 223845 | ||
| Number of reflections | 31688 | 625 | 2999 |
| <I/σ(I)> | 17.8 | ||
| Completeness [%] | 99.5 | 98.9 | 97.9 |
| Redundancy | 7.1 | 6.3 | 5.8 |
| CC(1/2) | 0.999 | 0.999 | 0.794 |
Crystallization Conditions
| crystal ID | method | pH | temperature | details |
| 1 | VAPOR DIFFUSION, SITTING DROP | 293 | 100 mM Hepes (pH 7.0), 15% (w/v) PEG 1500, 100 mM NaCl |
