3QCV

Crystal structure of the LT3015 antibody Fab fragment in complex with lysophosphatidic acid (18:2)

Experimental procedure

Experimental method	SINGLE WAVELENGTH
Source type	SYNCHROTRON
Source details	NSLS BEAMLINE X25
Synchrotron site	NSLS
Beamline	X25
Temperature [K]	100
Detector technology	CCD
Collection date	2009-11-04
Detector	ADSC QUANTUM 315
Wavelength(s)	1.0000
Spacegroup name	C 2 2 21
Unit cell lengths	86.980, 183.131, 127.498
Unit cell angles	90.00, 90.00, 90.00

Refinement procedure

Resolution	49.966 - 2.510
R-factor	0.2175
Rwork	0.215
R-free	0.26610
Structure solution method	MOLECULAR REPLACEMENT
Starting model (for MR)	3qcu
RMSD bond length	0.010
RMSD bond angle	1.272
Data reduction software	DENZO
Data scaling software	SCALEPACK
Phasing software	PHASER (2.1.4)
Refinement software	REFMAC

Data quality characteristics

	Overall	Inner shell	Outer shell
Low resolution limit [Å]	49.966	50.000	2.540
High resolution limit [Å]	2.500	6.780	2.500
Rmerge	0.122	0.075	0.475
Number of reflections	34955
<I/σ(I)>	7.9
Completeness [%]	100.0	100	100
Redundancy	7.4	7	7.4

Crystallization Conditions

crystal ID	method	pH	temperature	details
1	VAPOR DIFFUSION, HANGING DROP	6.5	294	0.095 M sodium citrate pH 5.6, 19% (v/v) isopropanol, 19% (w/v) PEG 4000, and 5% (v/v) glycerol, VAPOR DIFFUSION, HANGING DROP, temperature 294K