6FFJ

Anti-tumor antibody 14F7-derived single chain fragment variable (scFv)

Experimental procedure

Experimental method	SINGLE WAVELENGTH
Source type	SYNCHROTRON
Source details	ESRF BEAMLINE ID29
Synchrotron site	ESRF
Beamline	ID29
Temperature [K]	100
Detector technology	PIXEL
Collection date	2017-02-05
Detector	DECTRIS PILATUS3 S 6M
Wavelength(s)	1.0332
Spacegroup name	P 1 21 1
Unit cell lengths	63.798, 119.066, 68.286
Unit cell angles	90.00, 90.22, 90.00

Refinement procedure

Resolution	46.708 - 2.200
R-factor	0.1865
Rwork	0.184
R-free	0.23840
Structure solution method	MOLECULAR REPLACEMENT
Starting model (for MR)	3umt
RMSD bond length	0.010
RMSD bond angle	1.065
Data reduction software	XDS
Phasing software	PHENIX
Refinement software	PHENIX ((1.13_2998: ???))

Data quality characteristics

	Overall	Outer shell
Low resolution limit [Å]	46.710	2.280
High resolution limit [Å]	2.200	2.200
Rmerge	0.112	0.532
Rmeas	0.137	0.653
Rpim	0.078	0.374
Number of reflections	49026	4880
<I/σ(I)>	3.4	1.2
Completeness [%]	94.8	96.4
Redundancy	2.5	2.5
CC(1/2)	0.989	0.800

Crystallization Conditions

crystal ID	method	pH	temperature	details
1	VAPOR DIFFUSION, SITTING DROP		293	12.5 % w/v PEG 1000, 12.5 % w/v PEG 3350, 12.5 % v/v MPD, 0.02 M 1,6-hexandiol, 0.02 M 1-butanol, 0.02 M (RS)-1,2-propanediol, 0.02 M 2-propanol, 0.02 M 1,4-butanediol, 0.02 M 1,3-propanediol, 0.1 M bicine/tris base pH 8.5