6VL9

Anti-PEG antibody 6-3 Fab fragment in complex with PEG

Experimental procedure

Experimental method	SINGLE WAVELENGTH
Source type	SYNCHROTRON
Source details	APS BEAMLINE 22-ID
Synchrotron site	APS
Beamline	22-ID
Temperature [K]	93
Detector technology	PIXEL
Collection date	2019-06-06
Detector	DECTRIS EIGER X 16M
Wavelength(s)	1.0
Spacegroup name	P 21 21 2
Unit cell lengths	90.711, 169.788, 69.394
Unit cell angles	90.00, 90.00, 90.00

Refinement procedure

Resolution	43.820 - 2.630
R-factor	0.1824
Rwork	0.178
R-free	0.25020
Structure solution method	MOLECULAR REPLACEMENT
Starting model (for MR)	3o2v
RMSD bond length	0.009
RMSD bond angle	0.982
Data reduction software	HKL-2000
Data scaling software	HKL-2000
Phasing software	PHASER
Refinement software	PHENIX (1.18_3845)

Data quality characteristics

	Overall	Outer shell
Low resolution limit [Å]	45.360	2.700
High resolution limit [Å]	2.630	2.630
Number of reflections	31825	1605
<I/σ(I)>	11.9	3.1
Completeness [%]	98.0
Redundancy	5.9
CC(1/2)	0.970	0.860

Crystallization Conditions

crystal ID	method	pH	temperature	details
1	VAPOR DIFFUSION, SITTING DROP	5.5	293	20% PEG 4K, 100 mM sodium citrate/citric acid pH 5.5, 10% isopropanol