4JJ5

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	APS BEAMLINE 19-ID
Synchrotron site	APS
Beamline	19-ID
Detector technology	CCD
Collection date	2008-03-08
Detector	ADSC QUANTUM 315
Wavelength(s)	0.97895
Spacegroup name	P 32 2 1
Unit cell lengths	80.464, 80.464, 180.881
Unit cell angles	90.00, 90.00, 120.00

Refinement procedure

Resolution	34.842 - 2.445
R-factor	0.2411
Rwork	0.239
R-free	0.28280
Structure solution method	MOLECULAR REPLACEMENT
Starting model (for MR)	4isv
RMSD bond length	0.008
RMSD bond angle	1.113
Data reduction software	HKL-3000
Data scaling software	HKL-3000
Phasing software	AMoRE
Refinement software	PHENIX ((phenix.refine: 1.7.2_869))

Data quality characteristics

	Overall	Outer shell
Low resolution limit [Å]	34.842	2.530
High resolution limit [Å]	2.440	2.440
Rmerge	0.040	0.236
Number of reflections	25751
<I/σ(I)>	15.5	3.43
Completeness [%]	99.4	99.8
Redundancy	2.3	2.3

Crystallization Conditions

crystal ID	method	pH	temperature	details
1	VAPOR DIFFUSION, HANGING DROP	7.5	297	1.7M MgSO4, 100mM MES pH7.5 ; 1:1 volume with 1C2-Fab (10mg/ml) in 10mM TRIS, 10mM NaCl, pH7.3, VAPOR DIFFUSION, HANGING DROP, temperature 297K