3WKS
Crystal structure of the SepCysS-SepCysE N-terminal domain complex from
Experimental procedure
| Experimental method | SINGLE WAVELENGTH |
| Source type | SYNCHROTRON |
| Source details | PHOTON FACTORY BEAMLINE AR-NE3A |
| Synchrotron site | Photon Factory |
| Beamline | AR-NE3A |
| Temperature [K] | 100 |
| Detector technology | CCD |
| Collection date | 2012-12-15 |
| Detector | ADSC QUANTUM 270 |
| Wavelength(s) | 1 |
| Spacegroup name | P 21 21 21 |
| Unit cell lengths | 95.073, 107.135, 110.762 |
| Unit cell angles | 90.00, 90.00, 90.00 |
Refinement procedure
| Resolution | 49.197 - 3.029 |
| R-factor | 0.1935 |
| Rwork | 0.189 |
| R-free | 0.23960 |
| Structure solution method | MOLECULAR REPLACEMENT |
| RMSD bond length | 0.002 |
| RMSD bond angle | 0.650 |
| Data reduction software | XDS |
| Data scaling software | XSCALE |
| Phasing software | PHASER |
| Refinement software | PHENIX (1.7.2_869) |
Data quality characteristics
| Overall | Inner shell | Outer shell | |
| Low resolution limit [Å] | 50.000 | 50.000 | 3.210 |
| High resolution limit [Å] | 3.029 | 8.950 | 3.029 |
| Rmerge | 0.165 | 0.040 | 0.806 |
| Number of reflections | 22584 | ||
| <I/σ(I)> | 12.38 | 28.8 | 2.91 |
| Completeness [%] | 99.7 | 99.4 | 98.6 |
| Redundancy | 7.33 | 7.31 |
Crystallization Conditions
| crystal ID | method | pH | temperature | details |
| 1 | VAPOR DIFFUSION, HANGING DROP | 7 | 293 | Succinic acid, PEG 3350, pH 7, VAPOR DIFFUSION, HANGING DROP, temperature 293K |
