4X31

Room temperature structure of bacteriorhodopsin from lipidic cubic phase obtained with serial millisecond crystallography using synchrotron radiation

Experimental procedure

Experimental method	SINGLE WAVELENGTH
Source type	SYNCHROTRON
Source details	ESRF BEAMLINE ID13
Synchrotron site	ESRF
Beamline	ID13
Temperature [K]	294
Detector technology	CCD
Collection date	2014-05-04
Detector	RAYONIX MX-225
Wavelength(s)	1.0
Spacegroup name	P 63
Unit cell lengths	62.790, 62.790, 109.670
Unit cell angles	90.00, 90.00, 120.00

Refinement procedure

Resolution	31.400 - 2.400
R-factor	0.2072
Rwork	0.205
R-free	0.24900
Structure solution method	MOLECULAR REPLACEMENT
Starting model (for MR)	1h68
RMSD bond length	0.008
RMSD bond angle	1.013
Phasing software	PHASER (2.5.6)
Refinement software	REFMAC (5.8.0073)

Data quality characteristics

	Overall	Outer shell
Low resolution limit [Å]	36.560	2.460
High resolution limit [Å]	2.400	2.400
Number of reflections	9655
<I/σ(I)>	3.57	1.16
Completeness [%]	100.0	100
Redundancy	127	88.8

Crystallization Conditions

crystal ID	method	pH	temperature	details
1	LIPIDIC CUBIC PHASE	5.6	294	Precipitant: 27%-39% PEG 2000, 100 mM phosphate buffer pH 5.6. MAG 9.9 used for LCP formation. Crystallization setup in Hamilton syringe with tube of LCP surrounded by precipitant.