7E70

Time-resolved serial femtosecond crystallography reveals early structural changes in channelrhodopsin: 250 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	0.4499
Rwork	0.447
R-free	0.51410
Structure solution method	MOLECULAR REPLACEMENT
Starting model (for MR)	3ug9
RMSD bond length	0.010
RMSD bond angle	1.481
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)>	4.87	9.78	0.77
Completeness [%]	100.0	100	100
Redundancy	110	307.2	22
CC(1/2)	0.981	0.979	0.453

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