4ISV

Crystal structure of the Fab FRAGMENT OF 1C2, A MONOCLONAL ANTIBODY SPECIFIC FOR POLY-GLUTAMINE

Experimental procedure

Experimental method	SINGLE WAVELENGTH
Source type	SYNCHROTRON
Source details	SLS BEAMLINE X06SA
Synchrotron site	SLS
Beamline	X06SA
Temperature [K]	100
Detector technology	CCD
Collection date	2006-03-01
Detector	MARMOSAIC 225 mm CCD
Wavelength(s)	0.90003
Spacegroup name	P 21 21 21
Unit cell lengths	62.785, 71.377, 90.184
Unit cell angles	90.00, 90.00, 90.00

Refinement procedure

Resolution	21.712 - 1.497
R-factor	0.1991
Rwork	0.198
R-free	0.21810
Structure solution method	SAD
RMSD bond length	0.007
RMSD bond angle	1.166
Data reduction software	DENZO
Data scaling software	SCALEPACK
Phasing software	SHELXS
Refinement software	PHENIX (dev_1144)

Data quality characteristics

	Overall	Inner shell	Outer shell
Low resolution limit [Å]	50.000	50.000	1.550
High resolution limit [Å]	1.497	3.230	1.500
Rmerge	0.048	0.026	0.471
Number of reflections	64811
<I/σ(I)>	14.9
Completeness [%]	98.5	94.5	98.4
Redundancy	6.8	6.3	6.7

Crystallization Conditions

crystal ID	method	pH	temperature	details
1	VAPOR DIFFUSION, HANGING DROP	7.5	297	18% PEG3350, 100mM HEPES pH7.5; 1:1 volume with 1C2-Fab (10mg/ml) in 10mM TRIS, 10mM NaCl, pH7.3, VAPOR DIFFUSION, HANGING DROP, temperature 297K