7OMR

Crystal structure of coelenteramide-bound Renilla reniformis luciferase RLuc8-D162A 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	2019-02-07
Detector	DECTRIS PILATUS 2M-F
Wavelength(s)	0.9999
Spacegroup name	P 21 2 21
Unit cell lengths	56.445, 74.166, 80.346
Unit cell angles	90.00, 90.00, 90.00

Refinement procedure

Resolution	46.187 - 1.500
R-factor	0.1714
Rwork	0.171
R-free	0.18610
Structure solution method	MOLECULAR REPLACEMENT
Starting model (for MR)	2psj
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]	46.190	46.190	1.530
High resolution limit [Å]	1.500	8.220	1.500
Rmerge	0.090	0.024	2.141
Rmeas	0.094	0.025	2.237
Rpim	0.026	0.008	0.640
Total number of observations	717310	4442	31214
Number of reflections	54685	402	2626
<I/σ(I)>	18.8	80.2	1.3
Completeness [%]	99.9	99.7	97.6
Redundancy	13.1	11	11.9
CC(1/2)	1.000	1.000	0.561

Crystallization Conditions

crystal ID	method	pH	temperature	details
1	VAPOR DIFFUSION, HANGING DROP	8	293.15	PEG8000, potassium phosphate, glycerol