7QLM

rsKiiro trans chromophore dark structure by SFX

Experimental procedure

Experimental method	SINGLE WAVELENGTH
Source type	FREE ELECTRON LASER
Source details	SLAC LCLS BEAMLINE CXI
Synchrotron site	SLAC LCLS
Beamline	CXI
Temperature [K]	293
Detector technology	PIXEL
Collection date	2018-02-02
Detector	CS-PAD CXI-1
Wavelength(s)	1.305
Spacegroup name	P 21 21 21
Unit cell lengths	39.340, 74.010, 78.620
Unit cell angles	90.00, 90.00, 90.00

Refinement procedure

Resolution	15.400 - 1.300
R-factor	0.1898
Rwork	0.190
R-free	0.18360
Structure solution method	MOLECULAR REPLACEMENT
Starting model (for MR)	5oqe
Data reduction software	CrystFEL
Data scaling software	CrystFEL
Phasing software	MOLREP
Refinement software	REFMAC (5.8.0238)

Data quality characteristics

	Overall	Outer shell
Low resolution limit [Å]	15.400	1.398
High resolution limit [Å]	1.300	1.350
Number of reflections	54155	647523
<I/σ(I)>	4.843	0.4
Completeness [%]	100.0
Redundancy	273
CC(1/2)	0.990

Crystallization Conditions

crystal ID	method	pH	temperature	details
1	BATCH MODE		293	0.2 M LITHIUM SULFATE 0.1 M TRIS-CL PH 8.5 23-30% PEG 3350