5XAP

Crystal structure of SecDF in I form (C2 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	C 1 2 1
Unit cell lengths	208.265, 69.807, 66.169
Unit cell angles	90.00, 94.86, 90.00

Refinement procedure

Resolution	49.135 - 2.605
R-factor	0.2069
Rwork	0.203
R-free	0.25770
Structure solution method	MOLECULAR REPLACEMENT
Starting model (for MR)	3aqp
RMSD bond length	0.010
RMSD bond angle	1.046
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	2.640
High resolution limit [Å]	2.600	7.050	2.600
Rmerge	0.223	0.056	0.833
Rmeas	0.234	0.059	0.904
Rpim	0.072	0.018	0.340
Number of reflections	28645
<I/σ(I)>	4
Completeness [%]	99.0	99.4	98.9
Redundancy	10.2	10.9	6.5
CC(1/2)		0.999	0.730

Crystallization Conditions

crystal ID	method	pH	temperature	details
1	LIPIDIC CUBIC PHASE	5.9	298	41% PEG 200, 100mM Na-citrate, 100mM NH4NO3