6RNJ

TR-SMX closed state structure (0-5ms) of bacteriorhodopsin

Experimental procedure

Experimental method	SINGLE WAVELENGTH
Source type	SYNCHROTRON
Source details	SLS BEAMLINE X06SA
Synchrotron site	SLS
Beamline	X06SA
Temperature [K]	298
Detector technology	PIXEL
Collection date	2018-07-22
Detector	DECTRIS EIGER X 16M
Wavelength(s)	1.0
Spacegroup name	P 63
Unit cell lengths	62.000, 62.000, 110.300
Unit cell angles	90.00, 90.00, 120.00

Refinement procedure

Resolution	38.470 - 2.600
R-factor	0.2529
Rwork	0.249
R-free	0.30120
Structure solution method	MOLECULAR REPLACEMENT
Starting model (for MR)	5b6z
RMSD bond length	0.003
RMSD bond angle	0.447
Data reduction software	CrystFEL (0.7)
Data scaling software	CrystFEL (0.7)
Refinement software	PHENIX (1.13_2998)

Data quality characteristics

	Overall	Inner shell	Outer shell
Low resolution limit [Å]	38.470	2.980	2.180
High resolution limit [Å]	2.600	2.600	2.100
Number of reflections	6737		13882
<I/σ(I)>	1	1	1.33
Completeness [%]	90.1	84	100
Redundancy	1	1	24.6
CC(1/2)			0.520

Crystallization Conditions

crystal ID	method	pH	temperature	details
1	LIPIDIC CUBIC PHASE	5.6	294	100 mM Na/K Phosphate buffer pH 5.6 30 % PEG 2000
1	LIPIDIC CUBIC PHASE	5.6	294	100 mM Na/K Phosphate buffer pH 5.6 30 % PEG 2000
1	LIPIDIC CUBIC PHASE	5.6	294	100 mM Na/K Phosphate buffer pH 5.6 30 % PEG 2000