5TXF

Crystal structure of Lecithin:cholesterol acyltransferase (LCAT) in a closed conformation

Experimental procedure

Experimental method	SINGLE WAVELENGTH
Source type	SYNCHROTRON
Source details	APS BEAMLINE 21-ID-D
Synchrotron site	APS
Beamline	21-ID-D
Temperature [K]	100
Detector technology	CCD
Collection date	2014-04-17
Detector	MARMOSAIC 300 mm CCD
Wavelength(s)	0.97919
Spacegroup name	P 1 21 1
Unit cell lengths	95.887, 123.532, 114.778
Unit cell angles	90.00, 96.19, 90.00

Refinement procedure

Resolution	20.000 - 3.100
R-factor	0.2504
Rwork	0.250
R-free	0.26651
Structure solution method	MOLECULAR REPLACEMENT
Starting model (for MR)	Homology Model based on LPLA2 (4x90) generated by MODELLER
RMSD bond length	0.009
RMSD bond angle	1.318
Data scaling software	XDS
Phasing software	PHASER
Refinement software	REFMAC (5.8.0131)

Data quality characteristics

	Overall	Outer shell
Low resolution limit [Å]	48.300	3.200
High resolution limit [Å]	3.100	3.100
Rmerge	0.176	1.262
Number of reflections	48188
<I/σ(I)>	6.6	1.1
Completeness [%]	99.6	98.3
Redundancy	4.1	4.2
CC(1/2)	0.990	0.577

Crystallization Conditions

crystal ID	method	pH	temperature	details
1	VAPOR DIFFUSION, HANGING DROP		277	0.2 M ammonium formate, 20% PEG 3350
1	VAPOR DIFFUSION, HANGING DROP		277	0.2 M ammonium formate, 20% PEG 3350