9G6S

Fab-IP2 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	2019-02-16
Detector	DECTRIS EIGER X 9M
Wavelength(s)	0.980100
Spacegroup name	P 31 2 1
Unit cell lengths	131.638, 131.638, 95.240
Unit cell angles	90.00, 90.00, 120.00

Refinement procedure

Resolution	30.010 - 2.373
R-factor	0.2098
Rwork	0.208
R-free	0.25310
Structure solution method	MOLECULAR REPLACEMENT
RMSD bond length	0.007
RMSD bond angle	1.020
Data reduction software	autoPROC
Data scaling software	STARANISO
Phasing software	PHASER
Refinement software	BUSTER (2.10.4)

Data quality characteristics

	Overall	Outer shell
Low resolution limit [Å]	114.002	2.795
High resolution limit [Å]	2.373	2.373
Number of reflections	16351	818
<I/σ(I)>	5.6
Completeness [%]	89.7
Redundancy	5.5
CC(1/2)	0.985	0.676

Crystallization Conditions

crystal ID	method	pH	temperature	details
1	VAPOR DIFFUSION, HANGING DROP		291	10 % (w/v) PEG 4K 5 %w/v 2-PropOH 0.1 M HEPES pH7.5