8AQH

NanoLuc-Y94A luciferase mutant

Experimental procedure

Experimental method	SINGLE WAVELENGTH
Source type	SYNCHROTRON
Source details	SLS BEAMLINE X06DA
Synchrotron site	SLS
Beamline	X06DA
Temperature [K]	100
Detector technology	PIXEL
Collection date	2021-07-14
Detector	DECTRIS PILATUS 2M-F
Wavelength(s)	1
Spacegroup name	C 2 2 2
Unit cell lengths	86.449, 86.473, 96.237
Unit cell angles	90.00, 90.00, 90.00

Refinement procedure

Resolution	43.224 - 2.798
R-factor	0.2762
Rwork	0.261
R-free	0.30480
Structure solution method	MOLECULAR REPLACEMENT
Starting model (for MR)	8aq6
Data reduction software	XDS
Data scaling software	Aimless
Phasing software	PHASER
Refinement software	PHENIX (1.20.1-4487)

Data quality characteristics

	Overall	Outer shell
Low resolution limit [Å]	48.120	2.950
High resolution limit [Å]	2.798	2.798
Number of reflections	9193	897
<I/σ(I)>	10.6
Completeness [%]	99.9
Redundancy	6.5
CC(1/2)	0.997	0.280

Crystallization Conditions

crystal ID	method	pH	temperature	details
1	VAPOR DIFFUSION, HANGING DROP	4	293.15	MgCl2, KCl, Na acetate, PEG-400