6YN2

Crystal structure of Renilla reniformis luciferase variant RLuc8-W121F/E144Q in complex with a coelenteramide (the postcatalytic enzyme-product complex)

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
Wavelength(s)	0.99987
Spacegroup name	I 2 2 2
Unit cell lengths	112.765, 131.077, 142.030
Unit cell angles	90.00, 90.00, 90.00

Refinement procedure

Resolution	44.528 - 1.900
R-factor	0.1735
Rwork	0.172
R-free	0.19620
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 (1.14-3260-000)

Data quality characteristics

	Overall	Inner shell	Outer shell
Low resolution limit [Å]	48.660	48.660	1.940
High resolution limit [Å]	1.900	9.870	1.900
Rmerge	0.115	0.022	1.800
Rmeas	0.119	0.023	2.100
Rpim	0.032	0.007	0.629
Total number of observations	1120338
Number of reflections	82701	668	4421
<I/σ(I)>	18.5
Completeness [%]	99.9	99.2	98.7
Redundancy	13.5	12	12.4
CC(1/2)	0.999	1.000	0.495

Crystallization Conditions

crystal ID	method	pH	temperature	details
1	VAPOR DIFFUSION, HANGING DROP	4.5	293.5	NaHPO4/K2HPO4, sodium acetate