6ZEC

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]	100
Detector technology	PIXEL
Collection date	2018-07-30
Detector	DECTRIS EIGER2 XE 16M
Wavelength(s)	0.9795
Spacegroup name	P 21 21 2
Unit cell lengths	91.330, 60.790, 84.170
Unit cell angles	90.00, 90.00, 90.00

Refinement procedure

Resolution	50.610 - 1.650
R-factor	0.17622
Rwork	0.175
R-free	0.20605
Structure solution method	MOLECULAR REPLACEMENT
Starting model (for MR)	5niv
RMSD bond length	0.008
RMSD bond angle	1.461
Data reduction software	xia2
Data scaling software	xia2
Phasing software	PHASER
Refinement software	REFMAC (5.8.0258)

Data quality characteristics

	Overall	Outer shell
Low resolution limit [Å]	50.610	1.690
High resolution limit [Å]	1.650	1.650
Rmerge	0.082
Number of reflections	57128	4169
<I/σ(I)>	13.8	1
Completeness [%]	100.0	100
Redundancy	6.4	6.4
CC(1/2)	0.990	0.490

Crystallization Conditions

crystal ID	method	pH	temperature	details
1	VAPOR DIFFUSION, SITTING DROP		296	25 %w/v Polyethylene Glycol 3350 0.200 M Magnesium Chloride 0.100 M bis-Tris pH 5.5