5XAN

Crystal structure of SecDF in I form (P212121 space group)

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	2016-05-20
Detector	DECTRIS EIGER X 9M
Wavelength(s)	1
Spacegroup name	P 21 21 21
Unit cell lengths	63.545, 73.814, 369.746
Unit cell angles	90.00, 90.00, 90.00

Refinement procedure

Resolution	48.195 - 2.750
R-factor	0.2146
Rwork	0.212
R-free	0.26760
Structure solution method	MOLECULAR REPLACEMENT
Starting model (for MR)	3aqp
RMSD bond length	0.010
RMSD bond angle	1.057
Data reduction software	HKL
Data scaling software	SCALEPACK
Refinement software	PHENIX (1.10.1_2155)

Data quality characteristics

	Overall	Inner shell	Outer shell
Low resolution limit [Å]	50.000	50.000	2.750
High resolution limit [Å]	2.700	7.320	2.700
Rmerge	0.141	0.054	0.555
Rmeas	0.154	0.059	0.617
Rpim	0.059	0.022	0.261
Number of reflections	47548
<I/σ(I)>	4.8
Completeness [%]	97.8	99.3	86.4
Redundancy	6.4	6.7	5
CC(1/2)		0.997	0.813

Crystallization Conditions

crystal ID	method	pH	temperature	details
1	LIPIDIC CUBIC PHASE	6.6	298	40% PEG 200, 100mM Na-citrate, 100mM LiSO4