8BO9

NanoLuc-D9R/H57A/K89R mutant complexed with azacoelenterazine bound in intra-barrel catalytic site

Experimental procedure

Experimental method	SINGLE WAVELENGTH
Source type	SYNCHROTRON
Source details	SLS BEAMLINE X06SA
Synchrotron site	SLS
Beamline	X06SA
Temperature [K]	100
Detector technology	PIXEL
Collection date	2022-10-07
Detector	DECTRIS EIGER X 16M
Wavelength(s)	1
Spacegroup name	C 1 2 1
Unit cell lengths	147.907, 112.601, 59.703
Unit cell angles	90.00, 90.80, 90.00

Refinement procedure

Resolution	46.771 - 3.100
R-factor	0.2742
Rwork	0.272
R-free	0.30740
Structure solution method	MOLECULAR REPLACEMENT
Starting model (for MR)	7vsx
Data reduction software	XDS
Data scaling software	Aimless
Phasing software	PHASER
Refinement software	PHENIX (1.14-3260-0000)

Data quality characteristics

	Overall	Outer shell
Low resolution limit [Å]	49.490	3.310
High resolution limit [Å]	3.100	3.100
Number of reflections	17550	3209
<I/σ(I)>	6
Completeness [%]	98.5
Redundancy	3.5
CC(1/2)	0.997	0.219

Crystallization Conditions

crystal ID	method	pH	temperature	details
1	VAPOR DIFFUSION, HANGING DROP	5.5	293.15	PEG 10000, ammonium acetate, Bis-tris