Experimental procedure
Experimental method | SINGLE WAVELENGTH |
Source type | FREE ELECTRON LASER |
Source details | SLAC LCLS BEAMLINE MFX |
Synchrotron site | SLAC LCLS |
Beamline | MFX |
Temperature [K] | 300 |
Detector technology | CCD |
Collection date | 2018-12-12 |
Detector | RAYONIX MX340-HS |
Wavelength(s) | 1.3045 |
Spacegroup name | P 65 2 2 |
Unit cell lengths | 78.616, 78.616, 265.275 |
Unit cell angles | 90.00, 90.00, 120.00 |
Refinement procedure
Resolution | 31.770 - 1.650 |
R-factor | 0.172 |
Rwork | 0.171 |
R-free | 0.20120 |
Structure solution method | MOLECULAR REPLACEMENT |
Starting model (for MR) | 5wp2 |
RMSD bond length | 0.007 |
RMSD bond angle | 0.918 |
Data reduction software | cctbx.xfel |
Data scaling software | DIALS |
Phasing software | PHASER |
Refinement software | PHENIX (1.20.1_4487) |
Data quality characteristics
Overall | Outer shell | |
Low resolution limit [Å] | 31.770 | 1.680 |
High resolution limit [Å] | 1.650 | 1.650 |
Number of reflections | 59457 | 2912 |
<I/σ(I)> | 4.54 | 0.538 |
Completeness [%] | 99.9 | 99.66 |
Redundancy | 9.8 | 9.85 |
CC(1/2) | 0.984 | 0.140 |
Crystallization Conditions
crystal ID | method | pH | temperature | details |
1 | VAPOR DIFFUSION, HANGING DROP | 277 | 2 M ammonium sulfate, 100 mM MES buffer pH 5.3 |