7Q4Q

Magacizumab Fab fragment in complex with human LRG1 epitope

Experimental procedure

Experimental method	SINGLE WAVELENGTH
Source type	SYNCHROTRON
Source details	ALBA BEAMLINE XALOC
Synchrotron site	ALBA
Beamline	XALOC
Temperature [K]	100
Detector technology	PIXEL
Collection date	2019-11-28
Detector	DECTRIS PILATUS 6M
Wavelength(s)	0.979
Spacegroup name	P 21 21 21
Unit cell lengths	64.549, 76.978, 217.731
Unit cell angles	90.00, 90.00, 90.00

Refinement procedure

Resolution	49.460 - 1.650
R-factor	0.1842
Rwork	0.183
R-free	0.20680
Structure solution method	MOLECULAR REPLACEMENT
Starting model (for MR)	5dk3 6al4 6bjz
RMSD bond length	0.006
RMSD bond angle	0.902
Data reduction software	XDS
Data scaling software	Aimless
Phasing software	PHASER
Refinement software	PHENIX ((1.10.1_2155: ???))

Data quality characteristics

	Overall	Outer shell
Low resolution limit [Å]	49.460	1.680
High resolution limit [Å]	1.650	1.650
Rmerge	0.075	1.786
Rpim	0.021	0.500
Number of reflections	131287	6412
<I/σ(I)>	18.3	1.6
Completeness [%]	100.0
Redundancy	13.1
CC(1/2)	0.990	0.632

Crystallization Conditions

crystal ID	method	pH	temperature	details
1	VAPOR DIFFUSION, SITTING DROP	5.5	287	0.2 M NaCl, 0.1 M Bis-Tris pH 5.5, 25% (w/v) PEG 3350