6YDU
XFEL structure of the Soluble methane monooxygenase hydroxylase and regulatory subunit complex, from Methylosinus trichosporium OB3b, reoxidized diferric state, 10s O2 exposure.
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] | 298 |
Detector technology | CCD |
Collection date | 2018-12-08 |
Detector | RAYONIX MX340-HS |
Wavelength(s) | 1.30396 |
Spacegroup name | P 41 21 2 |
Unit cell lengths | 106.922, 106.922, 304.082 |
Unit cell angles | 90.00, 90.00, 90.00 |
Refinement procedure
Resolution | 33.710 - 1.950 |
R-factor | 0.1691 |
Rwork | 0.169 |
R-free | 0.19680 |
Structure solution method | MOLECULAR REPLACEMENT |
Starting model (for MR) | 6yd0 |
Data reduction software | cctbx.xfel |
Data scaling software | cxi.merge |
Phasing software | PHASER |
Refinement software | PHENIX (1.17.1_3660) |
Data quality characteristics
Overall | Outer shell | |
Low resolution limit [Å] | 33.960 | 2.020 |
High resolution limit [Å] | 1.950 | 1.950 |
Number of reflections | 128969 | 12712 |
<I/σ(I)> | 25.196 | |
Completeness [%] | 100.0 | 99.16 |
Redundancy | 74.36 | |
CC(1/2) | 0.945 | 0.077 |
Crystallization Conditions
crystal ID | method | pH | temperature | details |
1 | VAPOR DIFFUSION, SITTING DROP | 7.5 | 298 | 30 mM Sodium-Iodide, 30 mM Sodium-Bromide, 30 mM Sodium-Fluoride, 20% (v/v) Glycerol, 10% (w/v) PEG 4000, 100 mM HEPES/MOPS pH 7.5 10 mM Iron(III) chloride |