9HI6

Structure of scaffold FI6-focused design_04 in complex with FI6-Fab

Experimental procedure

Experimental method	SINGLE WAVELENGTH
Source type	SYNCHROTRON
Source details	SOLEIL BEAMLINE PROXIMA 1
Synchrotron site	SOLEIL
Beamline	PROXIMA 1
Temperature [K]	100
Detector technology	PIXEL
Collection date	2020-06-26
Detector	DECTRIS EIGER X 16M
Wavelength(s)	1.03674
Spacegroup name	P 1 21 1
Unit cell lengths	71.213, 47.869, 107.093
Unit cell angles	90.00, 106.13, 90.00

Refinement procedure

Resolution	43.400 - 1.500
R-factor	0.1788
Rwork	0.177
R-free	0.20370
Structure solution method	MOLECULAR REPLACEMENT
Starting model (for MR)	3ztj 4iyj
RMSD bond length	0.008
RMSD bond angle	0.962
Data reduction software	XDS
Data scaling software	XSCALE
Phasing software	PHASER (2.8.3)
Refinement software	PHENIX (1.20.1_4487)

Data quality characteristics

	Overall	Inner shell	Outer shell
Low resolution limit [Å]	43.400	43.400	1.540
High resolution limit [Å]	1.500	6.710	1.500
Rmerge	0.095	0.043	1.193
Rmeas	0.103	0.047	1.291
Number of reflections	110619	1326	7999
<I/σ(I)>	11.53	35.69	1.43
Completeness [%]	99.5	99	97.8
Redundancy	6.863	6.626	6.826
CC(1/2)	0.998	0.998	0.597

Crystallization Conditions

crystal ID	method	pH	temperature	details
1	VAPOR DIFFUSION, SITTING DROP		291.15	20%(w/V) PEG3350, 200mM (NH4)2Hcitrate pH 5.0