7FC9

Crystal structure of CmABCB1 in lipidic mesophase revealed by LCP-SFX

Experimental procedure

Experimental method	SINGLE WAVELENGTH
Source type	FREE ELECTRON LASER
Source details	SACLA BEAMLINE BL3
Synchrotron site	SACLA
Beamline	BL3
Temperature [K]	298
Detector technology	CCD
Collection date	2015-11-25
Detector	MPCCD
Wavelength(s)	1.771
Spacegroup name	C 2 2 21
Unit cell lengths	74.900, 285.900, 86.800
Unit cell angles	90.00, 90.00, 90.00

Refinement procedure

Resolution	20.001 - 2.200
Rwork	0.192
R-free	0.21790
Structure solution method	MOLECULAR REPLACEMENT
Starting model (for MR)	6a6m
RMSD bond length	0.014
RMSD bond angle	1.412
Data reduction software	CrystFEL (0.9.0)
Data scaling software	CrystFEL (0.9.0)
Phasing software	PHASER
Refinement software	REFMAC (5.8.0267)

Data quality characteristics

	Overall	Outer shell
Low resolution limit [Å]	45.450	2.260
High resolution limit [Å]	2.200	2.220
Number of reflections	47845	2335
<I/σ(I)>	12.37	1.43
Completeness [%]	100.0	100
Redundancy	2149	591

Crystallization Conditions

crystal ID	method	pH	temperature	details
1	LIPIDIC CUBIC PHASE		293	Micro-crystals were generated by incubation of 50 microL LCP containing the protein and 7.7 MAG/cholesterol in a 1.5 mL tube with 0.7 mL crystallization solution containing 26-30% 1,4-butanediol, 0.1 M Tris pH 7.9, 0.2 M zinc acetate.