7E6Y

Time-resolved serial femtosecond crystallography reveals early structural changes in channelrhodopsin: 1 microsecond structure

Experimental procedure

Experimental method	SINGLE WAVELENGTH
Source type	FREE ELECTRON LASER
Source details	SACLA BEAMLINE BL3
Synchrotron site	SACLA
Beamline	BL3
Temperature [K]	293
Detector technology	CCD
Collection date	2016-10-12
Detector	MPCCD
Wavelength(s)	1.77
Spacegroup name	C 2 2 21
Unit cell lengths	61.800, 142.200, 94.700
Unit cell angles	90.00, 90.00, 90.00

Refinement procedure

Resolution	14.960 - 2.500
R-factor	0.4485
Rwork	0.445
R-free	0.51480
Structure solution method	MOLECULAR REPLACEMENT
Starting model (for MR)	3ug9
RMSD bond length	0.012
RMSD bond angle	1.595
Data reduction software	CrystFEL (0.6.3)
Data scaling software	CrystFEL (0.6.3)
Phasing software	PHASER
Refinement software	REFMAC (5.8.0267)

Data quality characteristics

	Overall	Inner shell	Outer shell
Low resolution limit [Å]	39.410	39.526	2.441
High resolution limit [Å]	2.400	6.506	2.400
Number of reflections	16730	916	808
<I/σ(I)>	6.15	13.21	0.86
Completeness [%]	100.0	100	100
Redundancy	131.1	344.4	37.8
CC(1/2)	0.987	0.979	0.439

Crystallization Conditions

crystal ID	method	pH	temperature	details
1	LIPIDIC CUBIC PHASE	6.9	293	100 mM MES, pH 6.9, 100 mM Na formate, and 30% PEG500DM