7OXJ
ttSlyD with M8A pseudo-wild-type S2 peptide
Experimental procedure
| Experimental method | SINGLE WAVELENGTH |
| Source type | SYNCHROTRON |
| Source details | PETRA III, EMBL c/o DESY BEAMLINE P14 (MX2) |
| Synchrotron site | PETRA III, EMBL c/o DESY |
| Beamline | P14 (MX2) |
| Temperature [K] | 100 |
| Detector technology | PIXEL |
| Collection date | 2018-10-23 |
| Detector | DECTRIS PILATUS 6M |
| Wavelength(s) | 0.9763 |
| Spacegroup name | P 31 2 1 |
| Unit cell lengths | 49.282, 49.282, 130.700 |
| Unit cell angles | 90.00, 90.00, 120.00 |
Refinement procedure
| Resolution | 42.680 - 1.850 |
| R-factor | 0.1997 |
| Rwork | 0.198 |
| R-free | 0.22440 |
| Structure solution method | MOLECULAR REPLACEMENT |
| Starting model (for MR) | 4odl |
| RMSD bond length | 0.009 |
| RMSD bond angle | 1.117 |
| Data reduction software | XDS |
| Data scaling software | XSCALE |
| Phasing software | PHASER |
| Refinement software | PHENIX (1.17.1_3660) |
Data quality characteristics
| Overall | Outer shell | |
| Low resolution limit [Å] | 42.680 | 1.920 |
| High resolution limit [Å] | 1.850 | 1.850 |
| Rmerge | 0.042 | 1.040 |
| Rmeas | 0.043 | 1.076 |
| Rpim | 0.012 | 0.274 |
| Number of reflections | 16345 | 1595 |
| <I/σ(I)> | 32.99 | |
| Completeness [%] | 99.9 | 99.6 |
| Redundancy | 14.6 | 15.1 |
| CC(1/2) | 1.000 | 0.924 |
Crystallization Conditions
| crystal ID | method | pH | temperature | details |
| 1 | MICROBATCH | 6.5 | 292.15 | Sodium cacodylate, PEG 200 |
