5O64

From macrocrystals to microcrystals: a strategy for membrane protein serial crystallography

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]	291
Detector technology	PIXEL
Collection date	2014-05-23
Detector	CS-PAD CXI-1
Wavelength(s)	1.66
Spacegroup name	P 43 21 2
Unit cell lengths	226.600, 226.600, 113.800
Unit cell angles	90.00, 90.00, 90.00

Refinement procedure

Resolution	46.390 - 3.300
R-factor	0.15633
Rwork	0.154
R-free	0.19582
Structure solution method	MOLECULAR REPLACEMENT
Starting model (for MR)	5nj4
RMSD bond length	0.017
RMSD bond angle	2.203
Data reduction software	CrystFEL (0.6.2)
Data scaling software	CrystFEL (0.6.2)
Phasing software	PHASER
Refinement software	REFMAC (5.8.0158)

Data quality characteristics

	Overall	Outer shell
Low resolution limit [Å]	48.300	3.410
High resolution limit [Å]	3.300	3.300
Number of reflections	42765
<I/σ(I)>	11.1	1.06
Completeness [%]	100.0	100
Redundancy	1310	794
CC(1/2)	0.994	0.264

Crystallization Conditions

crystal ID	method	pH	temperature	details
1	VAPOR DIFFUSION, SITTING DROP		291	1 ml 2.4 M ammonium sulphate reservoir 20 ul sitting drop final concentrations: 5 mg/ml purified reaction center, 1.8 M ammonium sulphate, 10 mM sodium phosphate pH 6.8, 3 % heptane-1,2,3-triol Growth over 3 days at 291 K