8ESF

Crystal structure of human Nischarin PX and LRR domains with engineered mutations

Experimental procedure

Experimental method	SINGLE WAVELENGTH
Source type	SYNCHROTRON
Source details	AUSTRALIAN SYNCHROTRON BEAMLINE MX2
Synchrotron site	Australian Synchrotron
Beamline	MX2
Temperature [K]	100
Detector technology	PIXEL
Collection date	2022-10-13
Detector	DECTRIS EIGER2 X 16M
Wavelength(s)	0.9537
Spacegroup name	P 1 21 1
Unit cell lengths	88.173, 83.307, 90.830
Unit cell angles	90.00, 94.36, 90.00

Refinement procedure

Resolution	43.960 - 2.560
R-factor	0.2167
Rwork	0.215
R-free	0.24290
Structure solution method	MOLECULAR REPLACEMENT
Starting model (for MR)	AlphaFold2 model
RMSD bond length	0.010
RMSD bond angle	1.349
Data reduction software	XDS
Data scaling software	Aimless
Phasing software	PHASER
Refinement software	PHENIX (1.20rc3_4406)

Data quality characteristics

	Overall	Outer shell
Low resolution limit [Å]	49.120	2.650
High resolution limit [Å]	2.560	2.560
Rpim	0.032
Number of reflections	42220	4092
<I/σ(I)>	11.3
Completeness [%]	99.1
Redundancy	6.9
CC(1/2)	0.999	0.672

Crystallization Conditions

crystal ID	method	pH	temperature	details
1	VAPOR DIFFUSION, HANGING DROP	8	293	0.1 M imidazole, 10% PEG-8000, 0.1 M sodium fluoride