6X6Q
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 | 2017-10-29 |
| Detector | DECTRIS PILATUS 6M |
| Wavelength(s) | 1.03320 |
| Spacegroup name | P 1 |
| Unit cell lengths | 50.165, 60.717, 63.658 |
| Unit cell angles | 66.61, 72.54, 68.58 |
Refinement procedure
| Resolution | 57.460 - 2.170 |
| R-factor | 0.1749 |
| Rwork | 0.173 |
| R-free | 0.20220 |
| Structure solution method | MOLECULAR REPLACEMENT |
| Starting model (for MR) | 58kg |
| RMSD bond length | 0.007 |
| RMSD bond angle | 0.919 |
| Data reduction software | xia2 |
| Data scaling software | xia2 |
| Phasing software | PHASER |
| Refinement software | PHENIX (1.17.1_3660) |
Data quality characteristics
| Overall | Outer shell | |
| Low resolution limit [Å] | 57.550 | 2.030 |
| High resolution limit [Å] | 2.000 | 2.000 |
| Rmeas | 0.366 | 0.742 |
| Number of reflections | 41893 | 1976 |
| <I/σ(I)> | 8.7 | |
| Completeness [%] | 97.7 | |
| Redundancy | 6.8 |
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 |
