8IQP

Crystal structure of Anti-PEG antibody M9 Fv-clasp fragment with PEG (co-crystallization with PEG3350)

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	2021-05-15
Detector	DECTRIS PILATUS3 6M
Wavelength(s)	1
Spacegroup name	P 1 21 1
Unit cell lengths	58.230, 68.340, 94.790
Unit cell angles	90.00, 104.20, 90.00

Refinement procedure

Resolution	45.950 - 1.760
R-factor	0.2065
Rwork	0.205
R-free	0.24580
Structure solution method	MOLECULAR REPLACEMENT
RMSD bond length	0.006
RMSD bond angle	0.896
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]	45.950	1.860
High resolution limit [Å]	1.760	1.760
Rmeas	0.105	1.415
Number of reflections	71343	11764
<I/σ(I)>	5.54	0.55
Completeness [%]	99.6
Redundancy	3.22
CC(1/2)	0.995	0.602

Crystallization Conditions

crystal ID	method	pH	temperature	details
1	VAPOR DIFFUSION, HANGING DROP		293	0.2 M Ammonium acetate and 25% (w/v) PEG3350