5OD8

Crystal structure of the RA-associated mAb B2 (Fab fragment)

Experimental procedure

Experimental method	SINGLE WAVELENGTH
Source type	SYNCHROTRON
Source details	DIAMOND BEAMLINE I02
Synchrotron site	Diamond
Beamline	I02
Temperature [K]	100
Detector technology	PIXEL
Collection date	2013-08-14
Detector	DECTRIS PILATUS 6M-F
Wavelength(s)	0.97949
Spacegroup name	C 1 2 1
Unit cell lengths	137.410, 41.900, 97.490
Unit cell angles	90.00, 108.37, 90.00

Refinement procedure

Resolution	92.520 - 2.200
R-factor	0.20195
Rwork	0.200
R-free	0.24254
Structure solution method	MOLECULAR REPLACEMENT
Starting model (for MR)	3ncj
RMSD bond length	0.010
RMSD bond angle	1.376
Data reduction software	iMOSFLM
Data scaling software	Aimless
Phasing software	PHASER
Refinement software	REFMAC (5.8.0158)

Data quality characteristics

	Overall	Outer shell
Low resolution limit [Å]	92.530	2.270
High resolution limit [Å]	2.200	2.200
Rmerge	0.056	0.258
Rpim	0.051	0.243
Number of reflections	25795	1602
<I/σ(I)>	10.8	3
Completeness [%]	94.9	69.7
Redundancy	3.2	2.1
CC(1/2)	0.982	0.791

Crystallization Conditions

crystal ID	method	pH	temperature	details
1	VAPOR DIFFUSION, HANGING DROP		293	20% (w/v) PEG3350, 0.2 M Na3citrate