7OME

Azacoelenterazine-bound Renilla-type engineered ancestral luciferase variant (AncFT7)

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	2020-07-12
Detector	DECTRIS PILATUS 2M-F
Wavelength(s)	1
Spacegroup name	P 21 21 21
Unit cell lengths	43.076, 64.487, 98.096
Unit cell angles	90.00, 90.00, 90.00

Refinement procedure

Resolution	39.441 - 1.501
R-factor	0.1693
Rwork	0.168
R-free	0.19020
Structure solution method	MOLECULAR REPLACEMENT
Starting model (for MR)	2psj
Data reduction software	XDS
Data scaling software	Aimless (0.7.3)
Phasing software	PHASER
Refinement software	PHENIX (1.14_3260)

Data quality characteristics

	Overall	Inner shell	Outer shell
Low resolution limit [Å]	43.080	43.080	1.530
High resolution limit [Å]	1.500	8.220	1.500
Rmerge	0.211	0.032	1.495
Rmeas	0.221	0.034	1.659
Rpim	0.063	0.010	0.691
Total number of observations	508534	3425	10816
Number of reflections	44303	336	1993
<I/σ(I)>	12.7	45.3	1.4
Completeness [%]	99.4	99.6	92.1
Redundancy	11.5	10.2	5.4
CC(1/2)	0.998	1.000	0.440

Crystallization Conditions

crystal ID	method	pH	temperature	details
1	VAPOR DIFFUSION, HANGING DROP	9	293.15	PEG1500, SPG buffer