3EOT

Crystal structure of LAC031, an engineered anti-VLA1 Fab

Experimental procedure

Experimental method	SINGLE WAVELENGTH
Source type	SYNCHROTRON
Source details	NSLS BEAMLINE X29A
Synchrotron site	NSLS
Beamline	X29A
Temperature [K]	100
Detector technology	CCD
Collection date	2006-03-01
Detector	ADSC QUANTUM 315
Wavelength(s)	1.1
Spacegroup name	P 21 21 2
Unit cell lengths	83.163, 132.425, 41.827
Unit cell angles	90.00, 90.00, 90.00

Refinement procedure

Resolution	35.000 - 1.900
R-factor	0.236
Rwork	0.234
R-free	0.27000
RMSD bond length	0.005
RMSD bond angle	0.900
Data reduction software	DENZO
Data scaling software	SCALEPACK
Phasing software	AMoRE
Refinement software	CNS

Data quality characteristics

	Overall	Inner shell	Outer shell
Low resolution limit [Å]	50.000	50.000	1.970
High resolution limit [Å]	1.900	4.090	1.900
Rmerge	0.060	0.041	0.218
Number of reflections	36217
<I/σ(I)>	35.365
Completeness [%]	96.3	99.4	79
Redundancy	6.7	6.9	5.8

Crystallization Conditions

crystal ID	method	pH	temperature	details
1	VAPOR DIFFUSION, HANGING DROP	6.5	293	16-20% Peg 3350, 100 mM Na Cacodylate, 200 mM MgCl2 , pH 6.5, VAPOR DIFFUSION, HANGING DROP, temperature 293K