6K4Z

Single-chain Fv antibody of C6 COMPLEXED WITH 2-(4-HYDROXY-3-NITROPHENYL)ACETIC ACID

Experimental procedure

Experimental method	SINGLE WAVELENGTH
Source type	SYNCHROTRON
Source details	PHOTON FACTORY BEAMLINE BL-1A
Synchrotron site	Photon Factory
Beamline	BL-1A
Temperature [K]	100
Detector technology	PIXEL
Collection date	2018-12-12
Detector	DECTRIS EIGER X 4M
Wavelength(s)	1.1000
Spacegroup name	P 1
Unit cell lengths	37.393, 46.779, 74.581
Unit cell angles	88.23, 103.78, 111.98

Refinement procedure

Resolution	43.290 - 1.650
R-factor	0.1689
Rwork	0.167
R-free	0.19560
Structure solution method	MOLECULAR REPLACEMENT
Starting model (for MR)	3et9
RMSD bond length	0.007
RMSD bond angle	0.865
Data reduction software	XDS
Data scaling software	XDS
Phasing software	PHASER
Refinement software	PHENIX (1.13_2998)

Data quality characteristics

	Overall	Outer shell
Low resolution limit [Å]	50.000	1.750
High resolution limit [Å]	1.650	1.650
Number of reflections	52628	8339
<I/σ(I)>	11.2
Completeness [%]	96.2	94.1
Redundancy	3.6	3.5
CC(1/2)	0.998	0.716

Crystallization Conditions

crystal ID	method	pH	temperature	details
1	VAPOR DIFFUSION, HANGING DROP	8.5	277	0.14 M Lithium sulfate monohydrate, 0.07 M TRIS hydrochloride pH 8.5, 21% w/v Polyethylene glycol 4000