5YY4

Crystal structure of the scFv antibody 4B08 with sulfated epitope peptide

Experimental procedure

Experimental method	SINGLE WAVELENGTH
Source type	SYNCHROTRON
Source details	PHOTON FACTORY BEAMLINE BL-5A
Synchrotron site	Photon Factory
Beamline	BL-5A
Temperature [K]	100
Detector technology	CCD
Collection date	2017-11-19
Detector	ADSC QUANTUM 315r
Wavelength(s)	1.000
Spacegroup name	P 21 21 21
Unit cell lengths	45.250, 56.610, 97.920
Unit cell angles	90.00, 90.00, 90.00

Refinement procedure

Resolution	26.470 - 1.590
R-factor	0.15838
Rwork	0.157
R-free	0.19443
Structure solution method	MOLECULAR REPLACEMENT
Starting model (for MR)	5yd3
RMSD bond length	0.013
RMSD bond angle	1.597
Data reduction software	MOSFLM (7.2.1)
Data scaling software	Aimless (7.0.046)
Phasing software	PHASER (2.7.17)
Refinement software	REFMAC (5.8.0189)

Data quality characteristics

	Overall	Outer shell
Low resolution limit [Å]	26.470	1.620
High resolution limit [Å]	1.590	1.590
Rmerge	0.080	0.831
Rmeas	0.084	0.878
Rpim	0.027	0.279
Number of reflections	32983	1456
<I/σ(I)>	18.4	2.2
Completeness [%]	95.6	85.8
Redundancy	9.4	9.2
CC(1/2)	0.999	0.805

Crystallization Conditions

crystal ID	method	pH	temperature	details
1	VAPOR DIFFUSION, HANGING DROP	4.8	293.15	100mM sodium acetate, 1.4M Ammonium sulfate, pH 4.8