7OMO

Crystal structure of coelenteramine-bound Renilla reniformis luciferase RLuc8-D120A variant

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	2018-08-27
Detector	DECTRIS PILATUS 2M-F
Wavelength(s)	0.9990
Spacegroup name	P 1 21 1
Unit cell lengths	49.315, 139.972, 50.623
Unit cell angles	90.00, 112.56, 90.00

Refinement procedure

Resolution	46.751 - 1.451
R-factor	0.1641
Rwork	0.163
R-free	0.18120
Structure solution method	MOLECULAR REPLACEMENT
Starting model (for MR)	2SPJ
RMSD bond length	0.005
RMSD bond angle	0.786
Data reduction software	XDS
Data scaling software	Aimless (0.6.2)
Phasing software	PHASER
Refinement software	PHENIX (1.19.2-4158)

Data quality characteristics

	Overall	Inner shell	Outer shell
Low resolution limit [Å]	46.751	10.000	1.480
High resolution limit [Å]	1.450	7.950	1.450
Rmerge	0.046	0.022	0.861
Rmeas	0.049	0.024	0.932
Rpim	0.019	0.011	0.353
Number of reflections	111521	708	5415
<I/σ(I)>	21.2
Completeness [%]	99.9	99.8	99.2
Redundancy	6.8	6.4	6.8
CC(1/2)	1.000	0.999	0.807

Crystallization Conditions

crystal ID	method	pH	temperature	details
1	VAPOR DIFFUSION, HANGING DROP	6.5	293.15	PEG3350, magnesium chloride, bis-tris