7AC6
Structure of sponge-phase grown PepTst2 collected by rotation serial crystallography on a COC membrane at a synchrotron source
Experimental procedure
| Experimental method | SINGLE WAVELENGTH |
| Source type | SYNCHROTRON |
| Source details | SLS BEAMLINE X10SA |
| Synchrotron site | SLS |
| Beamline | X10SA |
| Temperature [K] | 100 |
| Detector technology | PIXEL |
| Collection date | 2019-11-20 |
| Detector | DECTRIS EIGER2 X 16M |
| Wavelength(s) | 1.0 |
| Spacegroup name | C 2 2 21 |
| Unit cell lengths | 101.760, 110.230, 109.820 |
| Unit cell angles | 90.00, 90.00, 90.00 |
Refinement procedure
| Resolution | 49.260 - 3.000 |
| R-factor | 0.2421 |
| Rwork | 0.240 |
| R-free | 0.28690 |
| Structure solution method | MOLECULAR REPLACEMENT |
| Starting model (for MR) | 4xnj |
| RMSD bond length | 0.002 |
| RMSD bond angle | 0.493 |
| Data reduction software | XDS |
| Data scaling software | XDS |
| Phasing software | PHENIX |
| Refinement software | PHENIX (1.17.1_3660) |
Data quality characteristics
| Overall | Outer shell | |
| Low resolution limit [Å] | 49.260 | 3.080 |
| High resolution limit [Å] | 3.000 | 3.000 |
| Number of reflections | 12579 | 1192 |
| <I/σ(I)> | 3.84 | 0.78 |
| Completeness [%] | 94.7 | |
| Redundancy | 3.05 | |
| CC(1/2) | 0.974 | 0.217 |
Crystallization Conditions
| crystal ID | method | pH | temperature | details |
| 1 | LIPIDIC CUBIC PHASE | 293 | 325 mM NH4H2PO4, 100 mM HEPES pH 7.0, 21-22%(v/v) PEG 400 and 10 mM dipeptide, AF |
