7XLD

Crystal structure of IsdH linker-NEAT3 bound to a nanobody (VHH)

Experimental procedure

Experimental method	SINGLE WAVELENGTH
Source type	SYNCHROTRON
Source details	PHOTON FACTORY BEAMLINE AR-NW12A
Synchrotron site	Photon Factory
Beamline	AR-NW12A
Temperature [K]	100
Detector technology	PIXEL
Collection date	2019-06-22
Detector	DECTRIS PILATUS3 S 2M
Wavelength(s)	1.000
Spacegroup name	P 1 21 1
Unit cell lengths	53.130, 49.420, 53.940
Unit cell angles	90.00, 99.54, 90.00

Refinement procedure

Resolution	40.900 - 1.650
R-factor	0.149
Rwork	0.148
R-free	0.19650
Structure solution method	MOLECULAR REPLACEMENT
Starting model (for MR)	4grw 3vtm
RMSD bond length	0.008
RMSD bond angle	1.512
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]	41.000	1.740
High resolution limit [Å]	1.650	1.650
Rmerge	0.068	0.642
Rpim	0.035	0.333
Number of reflections	32081	4588
<I/σ(I)>	13.4	2.1
Completeness [%]	96.1	94.9
Redundancy	4.7
CC(1/2)	0.999	0.758

Crystallization Conditions

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