6X6M
Peptide-bound structure of Marinomonas primoryensis peptide-binding domain
Experimental procedure
| Experimental method | SINGLE WAVELENGTH |
| Source type | SYNCHROTRON |
| Source details | PETRA III, DESY BEAMLINE P11 |
| Synchrotron site | PETRA III, DESY |
| Beamline | P11 |
| Temperature [K] | 93 |
| Detector technology | PIXEL |
| Collection date | 2018-04-07 |
| Detector | DECTRIS PILATUS 6M |
| Wavelength(s) | 1.0332 |
| Spacegroup name | P 1 |
| Unit cell lengths | 50.240, 60.868, 63.609 |
| Unit cell angles | 66.40, 72.74, 68.35 |
Refinement procedure
| Resolution | 57.390 - 1.900 |
| R-factor | 0.197 |
| Rwork | 0.196 |
| R-free | 0.21850 |
| Structure solution method | MOLECULAR REPLACEMENT |
| Starting model (for MR) | 58kg |
| RMSD bond length | 0.004 |
| RMSD bond angle | 0.623 |
| Data reduction software | xia2 |
| Data scaling software | DIALS |
| Phasing software | PHASER |
| Refinement software | PHENIX (1.17.1_3660) |
Data quality characteristics
| Overall | Outer shell | |
| Low resolution limit [Å] | 57.420 | 2.050 |
| High resolution limit [Å] | 1.900 | 2.000 |
| Rmerge | 0.068 | 1.697 |
| Number of reflections | 48424 | 20688 |
| <I/σ(I)> | 12.8 | |
| Completeness [%] | 98.0 | |
| Redundancy | 6.9 |
Crystallization Conditions
| crystal ID | method | pH | temperature | details |
| 1 | MICROBATCH | 4.6 | 298 | ~0.1 M calcium chloride, ~0.1 M sodium acetate (pH 4.6), ~30% (w/v) PEG 400 |
