3QO1

Monoclinic form of IgG1 Fab fragment (apo form) 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	2009-11-26
Detector	MAR scanner 345 mm plate
Wavelength(s)	1.5418
Spacegroup name	P 1 21 1
Unit cell lengths	53.297, 67.214, 68.952
Unit cell angles	90.00, 103.39, 90.00

Refinement procedure

Resolution	19.280 - 2.400
R-factor	0.1687
Rwork	0.166
R-free	0.22380
Structure solution method	MOLECULAR REPLACEMENT
Starting model (for MR)	2eh7
RMSD bond length	0.010
RMSD bond angle	1.280
Data reduction software	XDS
Data scaling software	SCALA (3.3.9)
Phasing software	AMoRE
Refinement software	BUSTER-TNT

Data quality characteristics

	Overall	Inner shell	Outer shell
Low resolution limit [Å]	67.214	19.284	2.530
High resolution limit [Å]	2.400	7.590	2.400
Rmerge		0.027	0.497
Rmeas		0.032	0.591
Rpim		0.017	0.316
Total number of observations		1888	8764
Number of reflections	18623
<I/σ(I)>	11.2	30	2.7
Completeness [%]	99.7	92	100
Redundancy	3.3	3.3	3.3

Crystallization Conditions

crystal ID	method	pH	temperature	details
1	VAPOR DIFFUSION, SITTING DROP	5.5	293	0.1M Na citrate, 20% isopropanol, 16% PEG 4000, pH 5.5, vapor diffusion, sitting drop, temperature 293K