7U9D

Crystal Structure of Human Phosphatidylcholine Transfer Protein in Complex with PC(16:0/20:4)

Experimental procedure

Experimental method	SINGLE WAVELENGTH
Source type	SYNCHROTRON
Source details	APS BEAMLINE 22-ID
Synchrotron site	APS
Beamline	22-ID
Temperature [K]	100
Detector technology	PIXEL
Collection date	2019-05-20
Detector	DECTRIS EIGER X 16M
Wavelength(s)	1
Spacegroup name	I 4 2 2
Unit cell lengths	133.172, 133.172, 83.271
Unit cell angles	90.00, 90.00, 90.00

Refinement procedure

Resolution	35.300 - 2.180
R-factor	0.2179
Rwork	0.217
R-free	0.23760
Structure solution method	MOLECULAR REPLACEMENT
Starting model (for MR)	1ln1
Data reduction software	HKL-2000
Data scaling software	HKL-2000
Phasing software	PHENIX
Refinement software	PHENIX (1.17.1_3660)

Data quality characteristics

	Overall	Inner shell	Outer shell
Low resolution limit [Å]	50.000	50.000	2.280
High resolution limit [Å]	2.180	4.740	2.200
Rmerge	0.100	0.072	1.508
Rmeas	0.102	0.074	1.543
Rpim	0.021	0.016	0.326
Number of reflections	19665	2095	1928
<I/σ(I)>	10.1
Completeness [%]	99.9	99.4	100
Redundancy	24	22.6	20.9
CC(1/2)		0.979	0.750

Crystallization Conditions

crystal ID	method	pH	temperature	details
1	VAPOR DIFFUSION, HANGING DROP	5.7	291	3.4-3.8 M sodium formate and 0.1 mM sodium acetate pH 5.7