3QNX

Orthorhombic form of human IgA1 Fab fragment, sharing same Fv as IgG

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	2009-06-18
Detector	MAR scanner 345 mm plate
Wavelength(s)	1.5418
Spacegroup name	P 21 21 2
Unit cell lengths	49.780, 95.850, 107.290
Unit cell angles	90.00, 90.00, 90.00

Refinement procedure

Resolution	18.150 - 2.200
R-factor	0.1837
Rwork	0.181
R-free	0.22410
Structure solution method	MOLECULAR REPLACEMENT
Starting model (for MR)	3m8o
RMSD bond length	0.010
RMSD bond angle	1.220
Data reduction software	MOSFLM
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]	47.925	47.925	2.320
High resolution limit [Å]	2.200	6.960	2.200
Rmerge		0.040	0.490
Rmeas		0.047	0.580
Rpim		0.025	0.305
Total number of observations		3087	13435
Number of reflections	26858
<I/σ(I)>	9.8	22.8	2.6
Completeness [%]	100.0	99.3	100
Redundancy	3.5	3.2	3.5

Crystallization Conditions

crystal ID	method	pH	temperature	details
1	VAPOR DIFFUSION, SITTING DROP	3.8	293	1.8M (NH4)2SO4, 0.1M PO4/citrate, pH 3.8, vapor diffusion, sitting drop, temperature 293K