4XNI
X-ray structure of PepTst1
Experimental procedure
| Experimental method | SINGLE WAVELENGTH |
| Source type | SYNCHROTRON |
| Source details | SLS BEAMLINE X10SA |
| Synchrotron site | SLS |
| Beamline | X10SA |
| Temperature [K] | 293 |
| Detector technology | PIXEL |
| Collection date | 2014-02-03 |
| Detector | DECTRIS PILATUS 6M-F |
| Wavelength(s) | 1.033 |
| Spacegroup name | C 2 2 21 |
| Unit cell lengths | 106.880, 114.610, 111.130 |
| Unit cell angles | 90.00, 90.00, 90.00 |
Refinement procedure
| Resolution | 48.161 - 2.800 |
| R-factor | 0.2071 |
| Rwork | 0.205 |
| R-free | 0.24060 |
| Structure solution method | MOLECULAR REPLACEMENT |
| Starting model (for MR) | 4d2b |
| RMSD bond length | 0.009 |
| RMSD bond angle | 1.314 |
| Data reduction software | XDS |
| Data scaling software | XSCALE |
| Phasing software | PHASER |
| Refinement software | PHENIX ((phenix.refine: 1.9_1692)) |
Data quality characteristics
| Overall | Outer shell | |
| Low resolution limit [Å] | 50.000 | 2.870 |
| High resolution limit [Å] | 2.800 | 2.800 |
| Number of reflections | 17128 | |
| <I/σ(I)> | 4 | 1.1 |
| Completeness [%] | 99.9 | 99.8 |
| Redundancy | 10.1 | 9.8 |
Crystallization Conditions
| crystal ID | method | pH | temperature | details |
| 1 | LIPIDIC CUBIC PHASE | 293 | 250-350 mM NH4H2PO4, 100 mM HEPES, pH7.0, 21-22% pEG400 |
