3QO0

Monoclinic form of IgG1 Fab fragment (in complex with antigenic peptide) sharing same Fv as IgA

Experimental procedure

Experimental method	SINGLE WAVELENGTH
Source type	ROTATING ANODE
Source details	RIGAKU MICROMAX-007 HF
Temperature [K]	108
Detector technology	IMAGE PLATE
Collection date	2009-12-04
Detector	MAR scanner 345 mm plate
Wavelength(s)	1.5418
Spacegroup name	P 1 21 1
Unit cell lengths	53.320, 67.270, 68.880
Unit cell angles	90.00, 103.10, 90.00

Refinement procedure

Resolution	28.230 - 2.300
R-factor	0.1712
Rwork	0.169
R-free	0.22140
Structure solution method	FOURIER SYNTHESIS
RMSD bond length	0.010
RMSD bond angle	1.280
Data reduction software	XDS
Data scaling software	SCALA (3.3.9)
Phasing software	FFT
Refinement software	BUSTER-TNT (BUSTER 2.8.0)

Data quality characteristics

	Overall	Inner shell	Outer shell
Low resolution limit [Å]	28.232	28.232	2.420
High resolution limit [Å]	2.300	7.270	2.300
Rmerge		0.023	0.572
Rmeas		0.027	0.672
Rpim		0.014	0.349
Total number of observations		2518	11220
Number of reflections	21241
<I/σ(I)>	12.4	41.6	2.4
Completeness [%]	99.9	98.3	100
Redundancy	3.7	3.6	3.6

Crystallization Conditions

crystal ID	method	pH	temperature	details
1	VAPOR DIFFUSION, SITTING DROP	6.1	293	0.1M Na citrate, 20% isopropanol, 16% PEG 4000, pH 6.1, vapor diffusion, sitting drop, temperature 293K