3QCT

Crystal structure of the humanized apo LT3015 anti-lysophosphatidic acid antibody Fab fragment

Experimental procedure

Experimental method	SINGLE WAVELENGTH
Source type	SYNCHROTRON
Source details	ALS BEAMLINE 8.2.2
Synchrotron site	ALS
Beamline	8.2.2
Temperature [K]	100
Detector technology	CCD
Collection date	2009-08-20
Detector	ADSC QUANTUM 315
Wavelength(s)	1.0000
Spacegroup name	P 43 21 2
Unit cell lengths	84.523, 84.523, 145.276
Unit cell angles	90.00, 90.00, 90.00

Refinement procedure

Resolution	46.152 - 2.149
R-factor	0.2402
Rwork	0.238
R-free	0.28720
Structure solution method	MOLECULAR REPLACEMENT
Starting model (for MR)	3i9g
RMSD bond length	0.012
RMSD bond angle	1.328
Data reduction software	DENZO
Data scaling software	SCALEPACK
Phasing software	PHASER (2.1.4)
Refinement software	PHENIX (1.5_2)

Data quality characteristics

	Overall	Inner shell	Outer shell
Low resolution limit [Å]	50.000	50.000	2.230
High resolution limit [Å]	2.149	4.630	2.149
Rmerge	0.065	0.027	0.645
Number of reflections	29461
<I/σ(I)>	12.2
Completeness [%]	100.0	99.9	100
Redundancy	11.2	11.8	10.1

Crystallization Conditions

crystal ID	method	pH	temperature	details
1	VAPOR DIFFUSION, HANGING DROP	7.5	294	0.1 M HEPES sodium pH 7.5, 2% PEG 400 (v/v), and 1.75 M ammonium sulfate, VAPOR DIFFUSION, HANGING DROP, temperature 294K