6WEC
Multi-Hit SFX using MHz XFEL sources
Experimental procedure
Experimental method | SINGLE WAVELENGTH |
Source type | FREE ELECTRON LASER |
Source details | EUROPEAN XFEL BEAMLINE SPB/SFX |
Synchrotron site | European XFEL |
Beamline | SPB/SFX |
Temperature [K] | 293 |
Detector technology | PIXEL |
Collection date | 2017-09-14 |
Detector | AGIPD |
Wavelength(s) | 1.3332 |
Spacegroup name | P 43 21 2 |
Unit cell lengths | 79.300, 79.300, 37.730 |
Unit cell angles | 90.00, 90.00, 90.00 |
Refinement procedure
Resolution | 21.660 - 2.100 |
R-factor | 0.2541 |
Rwork | 0.249 |
R-free | 0.29870 |
Structure solution method | MOLECULAR REPLACEMENT |
Starting model (for MR) | 6ftr |
RMSD bond length | 0.004 |
RMSD bond angle | 1.254 |
Data reduction software | CrystFEL |
Data scaling software | Aimless (0.7.4) |
Phasing software | PHASER (2.8.3) |
Refinement software | REFMAC (5.8.0258) |
Data quality characteristics
Overall | Outer shell | |
Low resolution limit [Å] | 21.660 | 2.155 |
High resolution limit [Å] | 2.100 | 2.100 |
Number of reflections | 7310 | 494 |
<I/σ(I)> | 2.9 | |
Completeness [%] | 98.5 | 92.34 |
Redundancy | 1 | |
CC(1/2) | 0.615 | 0.372 |
Crystallization Conditions
crystal ID | method | pH | temperature | details |
1 | BATCH MODE | 3.5 | 293 | NaCl, ethylene glycol, PEG 3350, acetate buffer pH 3.5 |