8IQR

Crystal structure of Anti-PEG antibody M9 Fv-clasp fragment with PEG (co-crystallization with PEG550DME)

Experimental procedure

Experimental method	SINGLE WAVELENGTH
Source type	SYNCHROTRON
Source details	SPRING-8 BEAMLINE BL45XU
Synchrotron site	SPring-8
Beamline	BL45XU
Temperature [K]	100
Detector technology	PIXEL
Collection date	2021-10-16
Detector	DECTRIS PILATUS3 6M
Wavelength(s)	1
Spacegroup name	P 1 21 1
Unit cell lengths	69.100, 82.780, 71.170
Unit cell angles	90.00, 117.01, 90.00

Refinement procedure

Resolution	49.400 - 2.350
R-factor	0.2391
Rwork	0.235
R-free	0.29210
Structure solution method	MOLECULAR REPLACEMENT
RMSD bond length	0.002
RMSD bond angle	0.468
Data reduction software	XDS
Data scaling software	XSCALE
Phasing software	PHASER
Refinement software	PHENIX ((1.20.1_4487: ???))

Data quality characteristics

	Overall	Outer shell
Low resolution limit [Å]	49.400	2.490
High resolution limit [Å]	2.350	2.350
Rmeas	0.108	1.062
Number of reflections	29444	4683
<I/σ(I)>	10.36	1.56
Completeness [%]	98.2
Redundancy	3.18
CC(1/2)	0.997	0.572

Crystallization Conditions

crystal ID	method	pH	temperature	details
1	VAPOR DIFFUSION, HANGING DROP		293	0.2 M Sodium formate and 16% (v/v) PEG 550DME