5BV7

Crystal structure of human LCAT (L4F, N5D) in complex with Fab of an agonistic antibody

Experimental procedure

Experimental method	SINGLE WAVELENGTH
Source type	SYNCHROTRON
Source details	ALS BEAMLINE 5.0.2
Synchrotron site	ALS
Beamline	5.0.2
Temperature [K]	100
Detector technology	CCD
Collection date	2011-05-20
Detector	ADSC QUANTUM 315r
Wavelength(s)	1.0
Spacegroup name	P 21 21 21
Unit cell lengths	57.944, 127.595, 256.079
Unit cell angles	90.00, 90.00, 90.00

Refinement procedure

Resolution	29.880 - 2.450
R-factor	0.1911
Rwork	0.189
R-free	0.24150
Structure solution method	MOLECULAR REPLACEMENT
Starting model (for MR)	4xwg
RMSD bond length	0.010
RMSD bond angle	1.306
Data reduction software	MOSFLM
Data scaling software	Aimless (0.3.6)
Phasing software	PHASER
Refinement software	PHENIX ((phenix.refine: 1.9_1692))

Data quality characteristics

	Overall	Inner shell	Outer shell
Low resolution limit [Å]	29.880	29.880	2.510
High resolution limit [Å]	2.450	11.750	2.450
Rmerge	0.114	0.034	1.268
Rpim	0.048	0.015	0.521
Total number of observations	375174	3836	21600
Number of reflections	66187
<I/σ(I)>	12.2	34.3	1.6
Completeness [%]	93.5	93.7	85.1
Redundancy	5.7	5.5	5.7
CC(1/2)	0.997	0.999	0.612

Crystallization Conditions

crystal ID	method	pH	temperature	details
1	VAPOR DIFFUSION, SITTING DROP	7	293	0.1 M Hepes pH 7, 5% PEG 20000