5VKK

Crystal structure of Fab fragment of anti-CD22 Epratuzumab

Experimental procedure

Experimental method	SINGLE WAVELENGTH
Source type	SYNCHROTRON
Source details	CLSI BEAMLINE 08ID-1
Synchrotron site	CLSI
Beamline	08ID-1
Temperature [K]	100
Detector technology	CCD
Collection date	2015-08-07
Detector	RAYONIX MX-300
Wavelength(s)	0.97949
Spacegroup name	P 1
Unit cell lengths	56.712, 61.564, 65.285
Unit cell angles	71.81, 81.07, 75.95

Refinement procedure

Resolution	49.671 - 2.014
R-factor	0.2131
Rwork	0.212
R-free	0.23660
Structure solution method	MOLECULAR REPLACEMENT
Starting model (for MR)	6ani
RMSD bond length	0.004
RMSD bond angle	0.833
Data reduction software	XDS
Data scaling software	XSCALE
Phasing software	PHASER
Refinement software	PHENIX ((1.12_2829))

Data quality characteristics

	Overall	Inner shell	Outer shell
Low resolution limit [Å]	49.671	49.671	2.080
High resolution limit [Å]	2.014	7.780	2.014
Rmerge	0.145	0.028	0.756
Rmeas	0.177	0.035	0.928
Number of reflections	52026	908	5119
<I/σ(I)>	6.62	30.19	1.71
Completeness [%]	92.3	97.5	96
Redundancy	2.957	2.907	2.979
CC(1/2)	0.993	0.998	0.626

Crystallization Conditions

crystal ID	method	pH	temperature	details
1	VAPOR DIFFUSION		293	85 mM Tris, pH 8.5, 25.5% PEG 4000 (w/v), 170 mM sodium acetate and 15% glycerol