6NMF

SFX structure of reduced cytochrome c oxidase at room temperature

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]	293
Detector technology	PIXEL
Collection date	2016-12-07
Detector	CS-PAD XPP
Wavelength(s)	1.306
Spacegroup name	P 21 21 21
Unit cell lengths	178.700, 189.800, 211.300
Unit cell angles	90.00, 90.00, 90.00

Refinement procedure

Resolution	15.000 - 2.800
R-factor	0.17879
Rwork	0.176
R-free	0.23210
Structure solution method	MOLECULAR REPLACEMENT
Starting model (for MR)	5b1b
RMSD bond length	0.011
RMSD bond angle	1.775
Data reduction software	CrystFEL
Data scaling software	CrystFEL
Phasing software	PHASER
Refinement software	REFMAC (5.8.0189)

Data quality characteristics

	Overall	Outer shell
Low resolution limit [Å]	15.000	2.870
High resolution limit [Å]	2.800	2.800
Number of reflections	166575	11900
<I/σ(I)>	3.6	0.41
Completeness [%]	99.3	99.98
Redundancy	273
CC(1/2)	0.971	0.150

Crystallization Conditions

crystal ID	method	pH	temperature	details
1	BATCH MODE	6.8	277	36 hour crystallization in a cold room with stirring