8IQQ

Crystal structure of Anti-PEG antibody M9 Fv-clasp fragment with PEG (co-crystallization with PEG2000MME)

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	C 1 2 1
Unit cell lengths	109.990, 70.250, 103.580
Unit cell angles	90.00, 110.94, 90.00

Refinement procedure

Resolution	48.370 - 2.020
R-factor	0.2009
Rwork	0.199
R-free	0.24310
Structure solution method	MOLECULAR REPLACEMENT
RMSD bond length	0.002
RMSD bond angle	0.500
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]	48.400	2.140
High resolution limit [Å]	2.020	2.020
Rmeas	0.231	2.293
Number of reflections	48467	7637
<I/σ(I)>	5.27	1.05
Completeness [%]	99.8
Redundancy	6.5
CC(1/2)	0.990	0.588

Crystallization Conditions

crystal ID	method	pH	temperature	details
1	VAPOR DIFFUSION, HANGING DROP		293	0.1 M Tris-HCl pH 7.0 and 24% (w/v) PEG 2000MME