Experimental procedure
Experimental method | SINGLE WAVELENGTH |
Source type | FREE ELECTRON LASER |
Source details | SLAC LCLS BEAMLINE CXI |
Synchrotron site | SLAC LCLS |
Beamline | CXI |
Temperature [K] | 293 |
Detector technology | PIXEL |
Collection date | 2016-04-01 |
Detector | CS-PAD CXI-1 |
Wavelength(s) | 1.338 |
Spacegroup name | P 41 21 2 |
Unit cell lengths | 58.250, 58.250, 150.600 |
Unit cell angles | 90.00, 90.00, 90.00 |
Refinement procedure
Resolution | 22.670 - 1.880 |
Rwork | 0.173 |
R-free | 0.20380 |
Structure solution method | FOURIER SYNTHESIS |
Starting model (for MR) | 5fgt |
RMSD bond length | 0.012 |
RMSD bond angle | 1.659 |
Data reduction software | CrystFEL |
Data scaling software | CrystFEL |
Phasing software | REFMAC |
Refinement software | REFMAC (5.8.0258) |
Data quality characteristics
Overall | Outer shell | |
Low resolution limit [Å] | 23.120 | 1.930 |
High resolution limit [Å] | 1.880 | 1.880 |
Number of reflections | 21989 | 1053 |
<I/σ(I)> | 3.5 | 1.2 |
Completeness [%] | 100.0 | |
Redundancy | 1 | |
CC(1/2) | 0.955 | 0.426 |
Crystallization Conditions
crystal ID | method | pH | temperature | details |
1 | BATCH MODE | 7 | 293 | 0.8 M NA, K TARTRATE, 0.1 M NA HEPES PH 7.0, BATCH MODE, TEMPERATURE 293K |