5YHF

Crystal structure of SecDF in Super-membrane-facing form

Experimental procedure

Experimental method	SINGLE WAVELENGTH
Source type	SYNCHROTRON
Source details	SPRING-8 BEAMLINE BL32XU
Synchrotron site	SPring-8
Beamline	BL32XU
Temperature [K]	100
Detector technology	PIXEL
Collection date	2016-04-14
Detector	DECTRIS EIGER X 9M
Wavelength(s)	1.0
Spacegroup name	P 1
Unit cell lengths	55.190, 65.640, 79.980
Unit cell angles	75.11, 75.23, 80.83

Refinement procedure

Resolution	48.864 - 2.800
R-factor	0.2067
Rwork	0.203
R-free	0.24640
Structure solution method	MOLECULAR REPLACEMENT
Starting model (for MR)	3aqp
RMSD bond length	0.002
RMSD bond angle	0.455
Data scaling software	XSCALE
Phasing software	MoRDa
Refinement software	PHENIX (1.12_2829)

Data quality characteristics

	Overall	Inner shell	Outer shell
Low resolution limit [Å]	48.864	48.864	2.970
High resolution limit [Å]	2.800	8.370	2.800
Rmerge	0.066	0.140	0.905
Rmeas	0.671	0.142	9.251
Total number of observations	590974
Number of reflections	25694	956	4166
<I/σ(I)>	8.23	27.48	1.81
Completeness [%]	99.8	99.4	100
Redundancy	23	25.209	22.61
CC(1/2)	0.987	0.995	0.789

Crystallization Conditions

crystal ID	method	pH	temperature	details
1	LIPIDIC CUBIC PHASE	8.5	298	50% PEG 400, 100 mM Tris-HCl pH 8.5, 100 mM KCl