5D58
In meso in situ serial X-ray crystallography structure of the PepTSt-Ala-Phe complex at 100 K
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 | 2015-02-18 |
| Detector | DECTRIS PILATUS 6M-F |
| Wavelength(s) | 0.97852 |
| Spacegroup name | C 2 2 21 |
| Unit cell lengths | 100.160, 109.520, 111.470 |
| Unit cell angles | 90.00, 90.00, 90.00 |
Refinement procedure
| Resolution | 45.682 - 2.400 |
| R-factor | 0.2113 |
| Rwork | 0.209 |
| R-free | 0.25110 |
| Structure solution method | MOLECULAR REPLACEMENT |
| Starting model (for MR) | 4d2c |
| RMSD bond length | 0.005 |
| RMSD bond angle | 0.932 |
| Data reduction software | XDS |
| Data scaling software | XSCALE |
| Phasing software | PHASER |
| Refinement software | PHENIX (1.9_1692) |
Data quality characteristics
| Overall | Outer shell | |
| Low resolution limit [Å] | 50.000 | 2.460 |
| High resolution limit [Å] | 2.400 | 2.400 |
| Number of reflections | 24159 | |
| <I/σ(I)> | 9.31 | 2.18 |
| Completeness [%] | 99.4 | 98.8 |
| Redundancy | 4.3 | 4.2 |
Crystallization Conditions
| crystal ID | method | pH | temperature | details |
| 1 | LIPIDIC CUBIC PHASE | 293 | 250-325 mM NH4H2PO4, 100 mM HEPES, pH 7.0, 21-22 %(v/v) PEG 400 and 10 mM Ala-Phe |
