7ARN

Crystal Structure of the Fab Fragment of a Glycosylated Lymphoma Antibody

Experimental procedure

Experimental method	SINGLE WAVELENGTH
Source type	SYNCHROTRON
Source details	DIAMOND BEAMLINE I04
Synchrotron site	Diamond
Beamline	I04
Temperature [K]	293
Detector technology	PIXEL
Collection date	2019-06-29
Detector	DECTRIS EIGER X 16M
Wavelength(s)	0.9795
Spacegroup name	C 1 2 1
Unit cell lengths	95.550, 60.580, 82.450
Unit cell angles	90.00, 111.91, 90.00

Refinement procedure

Resolution	44.320 - 1.570
R-factor	0.1965
Rwork	0.195
R-free	0.23220
Structure solution method	MOLECULAR REPLACEMENT
Starting model (for MR)	6i9i
RMSD bond length	0.006
RMSD bond angle	0.895
Data reduction software	xia2
Data scaling software	xia2
Phasing software	PHASER
Refinement software	PHENIX ((1.14_3260: ???))

Data quality characteristics

	Overall	Outer shell
Low resolution limit [Å]	44.320	1.626
High resolution limit [Å]	1.570	1.570
Rmerge	0.055	0.805
Rmeas	0.065	0.962
Rpim	0.035	0.520
Number of reflections	59090	5799
<I/σ(I)>	9.95	1.09
Completeness [%]	96.7	95.31
Redundancy	3.5	3.2
CC(1/2)	0.998	0.575

Crystallization Conditions

crystal ID	method	pH	temperature	details
1	VAPOR DIFFUSION, SITTING DROP	7	298	30% Jeffamine ED-2001 Reagent pH 7.0 0.1M HEPES pH 7.0 8% 2,5 hexanediol