6TQS

The crystal structure of the MSP domain of human MOSPD2 in complex with the conventional FFAT motif of ORP1.

Experimental procedure

Experimental method	SINGLE WAVELENGTH
Source type	SYNCHROTRON
Source details	SOLEIL BEAMLINE PROXIMA 2
Synchrotron site	SOLEIL
Beamline	PROXIMA 2
Temperature [K]	100
Detector technology	PIXEL
Collection date	2018-05-25
Detector	DECTRIS EIGER X 9M
Wavelength(s)	0.98
Spacegroup name	P 61 2 2
Unit cell lengths	126.874, 126.874, 184.449
Unit cell angles	90.00, 90.00, 120.00

Refinement procedure

Resolution	70.640 - 2.250
R-factor	0.219
Rwork	0.217
R-free	0.26000
Structure solution method	MOLECULAR REPLACEMENT
Starting model (for MR)	1wic
Data reduction software	XDS
Data scaling software	Aimless (0.7.4)
Phasing software	PHASER (2.8.2)
Refinement software	PHENIX (dev-3644)

Data quality characteristics

	Overall	Inner shell	Outer shell
Low resolution limit [Å]	109.880	109.880	2.320
High resolution limit [Å]	2.250	9.000	2.250
Rmerge	0.244	0.071	5.314
Rmeas	0.248	0.072	5.413
Rpim	0.040	0.013	1.023
Total number of observations	1549132	25996	105858
Number of reflections	42297	803	3815
<I/σ(I)>	11.3	34.4	0.7
Completeness [%]	100.0	100	99.9
Redundancy	36.6	32.4	27.7
CC(1/2)	0.999	1.000	0.507

Crystallization Conditions

crystal ID	method	pH	temperature	details
1	VAPOR DIFFUSION, SITTING DROP		293	20% PEG 3350, 0.2 M sodium sulfate