5XAM

Crystal structure of SecDF in I form at 4 A resolution

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	2016-10-30
Detector	DECTRIS EIGER X 9M
Wavelength(s)	1
Spacegroup name	P 1 21 1
Unit cell lengths	93.320, 62.260, 181.710
Unit cell angles	90.00, 101.71, 90.00

Refinement procedure

Resolution	47.985 - 4.000
R-factor	0.3395
Rwork	0.333
R-free	0.40200
Structure solution method	MOLECULAR REPLACEMENT
Starting model (for MR)	3aqp
RMSD bond length	0.003
RMSD bond angle	0.708
Data reduction software	HKL
Data scaling software	SCALEPACK
Phasing software	PHASER
Refinement software	PHENIX (1.10.1_2155)

Data quality characteristics

	Overall	Inner shell	Outer shell
Low resolution limit [Å]	50.000	50.000	4.070
High resolution limit [Å]	4.000	10.820	4.000
Rmerge	0.156	0.075	0.821
Rmeas	0.186	0.094
Rpim	0.111	0.055	0.625
Number of reflections	17534
<I/σ(I)>	2.9
Completeness [%]	36.0	64.4	14.5
Redundancy	2.5	2.6	2.1
CC(1/2)		0.990	0.379

Crystallization Conditions

crystal ID	method	pH	temperature	details
1	LIPIDIC CUBIC PHASE	6	298	38% PEG 200, NH4-citrate