9G6Q

scFv IP11 in complex with rocuronium

Experimental procedure

Experimental method	SINGLE WAVELENGTH
Source type	SYNCHROTRON
Source details	SOLEIL BEAMLINE PROXIMA 2
Synchrotron site	SOLEIL
Beamline	PROXIMA 2
Temperature [K]	100
Detector technology	PIXEL
Collection date	2019-09-14
Detector	DECTRIS EIGER X 9M
Wavelength(s)	0.9801
Spacegroup name	P 21 21 21
Unit cell lengths	50.879, 63.685, 80.610
Unit cell angles	90.00, 90.00, 90.00

Refinement procedure

Resolution	49.970 - 1.200
R-factor	0.16862
Rwork	0.168
R-free	0.18893
Structure solution method	MOLECULAR REPLACEMENT
RMSD bond length	0.015
RMSD bond angle	1.964
Data reduction software	XDS
Data scaling software	Aimless
Phasing software	PHASER
Refinement software	REFMAC (5.8.0425)

Data quality characteristics

	Overall	Outer shell
Low resolution limit [Å]	50.800	1.220
High resolution limit [Å]	1.200	1.200
Number of reflections	81866	3978
<I/σ(I)>	12.1
Completeness [%]	99.2
Redundancy	7.2
CC(1/2)	0.998	0.668

Crystallization Conditions

crystal ID	method	pH	temperature	details
1	VAPOR DIFFUSION		291	20 % (w/v) PEG 4K 10 % (v/v) 2-PropOH 0.1 M HEPES pH 7.5