7XLI

Crystal structure of IsdB linker-NEAT2 bound to a nanobody (VHH)

Experimental procedure

Experimental method	SINGLE WAVELENGTH
Source type	SYNCHROTRON
Source details	PHOTON FACTORY BEAMLINE BL-5A
Synchrotron site	Photon Factory
Beamline	BL-5A
Temperature [K]	100
Detector technology	PIXEL
Collection date	2019-12-07
Detector	DECTRIS PILATUS3 6M
Wavelength(s)	1.000
Spacegroup name	P 21 21 21
Unit cell lengths	40.321, 48.580, 140.700
Unit cell angles	90.00, 90.00, 90.00

Refinement procedure

Resolution	40.000 - 1.700
R-factor	0.21
Rwork	0.209
R-free	0.23730
Structure solution method	MOLECULAR REPLACEMENT
Starting model (for MR)	7xld
RMSD bond length	0.014
RMSD bond angle	1.780
Data reduction software	MOSFLM (7.2.2)
Data scaling software	SCALA (3.3.22)
Phasing software	PHASER (2.8.3)
Refinement software	REFMAC (5.8.0258)

Data quality characteristics

	Overall	Outer shell
Low resolution limit [Å]	40.000	1.790
High resolution limit [Å]	1.700	1.700
Rmerge	0.068	0.828
Rpim	0.025	0.325
Number of reflections	31303	4429
<I/σ(I)>	14.7	2.3
Completeness [%]	99.8
Redundancy	8.4
CC(1/2)	0.998	0.827

Crystallization Conditions

crystal ID	method	pH	temperature	details
1	VAPOR DIFFUSION, HANGING DROP	7.5	293	25% PEG 3,350 0.1 M HEPES (pH 7.5)