4X96

Low resolution crystal structure of Lecithin:Cholesterol Acyltransferase (LCAT; residues 21-397)

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	2014-02-05
Detector	MARMOSAIC 300 mm CCD
Wavelength(s)	0.97857
Spacegroup name	H 3
Unit cell lengths	367.258, 367.258, 187.069
Unit cell angles	90.00, 90.00, 120.00

Refinement procedure

Resolution	30.000 - 8.690
R-factor	0.2105
Rwork	0.210
R-free	0.22860
Structure solution method	MOLECULAR REPLACEMENT
Starting model (for MR)	4x90
RMSD bond length	0.006
RMSD bond angle	1.170
Data reduction software	HKL-2000
Data scaling software	SCALEPACK
Phasing software	PHASER
Refinement software	REFMAC (5.8.0073)

Data quality characteristics

	Overall	Inner shell	Outer shell
Low resolution limit [Å]	30.000	30.000	8.850
High resolution limit [Å]	8.690	20.800	8.700
Rmerge	0.189	0.093	0.529
Rmeas	0.210	0.109	0.592
Rpim	0.093	0.056	0.264
Total number of observations	37449
Number of reflections	7324
<I/σ(I)>	3.3
Completeness [%]	98.8	98.9	94.8
Redundancy	5.1	3.5	4.8
CC(1/2)		0.987	0.794

Crystallization Conditions

crystal ID	method	pH	temperature	details
1	VAPOR DIFFUSION, HANGING DROP		277	100 mM Na acetate pH 5.0, 13% isopropanol, and 200 mM CaCl2