6KYL

Crystal Structure of Phosphatidic acid Transporter Ups1/Mdm35 in Complex with (2R)-3-(phosphonooxy)propane-1,2-diyl dihexanoate

Replaces:  5JQO

Experimental procedure

Experimental method	SINGLE WAVELENGTH
Source type	SYNCHROTRON
Source details	SSRF BEAMLINE BL18U1
Synchrotron site	SSRF
Beamline	BL18U1
Temperature [K]	100
Detector technology	CCD
Collection date	2015-07-06
Detector	Bruker Platinum 135
Wavelength(s)	0.9786
Spacegroup name	P 41
Unit cell lengths	90.140, 90.140, 81.319
Unit cell angles	90.00, 90.00, 90.00

Refinement procedure

Resolution	45.070 - 3.550
R-factor	0.2892
Rwork	0.287
R-free	0.31030
Structure solution method	MOLECULAR REPLACEMENT
Starting model (for MR)	5jql
Data reduction software	HKL-2000
Data scaling software	SCALEPACK
Phasing software	PHASER
Refinement software	PHENIX (1.14_3260)

Data quality characteristics

	Overall	Inner shell	Outer shell
Low resolution limit [Å]	50.000	50.000	3.610
High resolution limit [Å]	3.549	9.610	3.550
Rmerge	0.053	0.029	0.670
Rmeas	0.057	0.032	0.724
Rpim	0.022	0.013	0.273
Number of reflections	8015	428	407
<I/σ(I)>	6.4
Completeness [%]	100.0	100	100
Redundancy	6.7	6.1	6.9
CC(1/2)		0.999	0.849

Crystallization Conditions

crystal ID	method	pH	temperature	details
1	VAPOR DIFFUSION, HANGING DROP		289	0.1M Bis-tris Propane, 30%-32% v/v Tacsimate, pH7.0