7OMD

Crystal structure of azacoelenterazine-bound Renilla reniformis luciferase variant RLuc8-D162A

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	2019-12-04
Detector	DECTRIS PILATUS 2M-F
Wavelength(s)	1
Spacegroup name	P 1 21 1
Unit cell lengths	51.569, 84.057, 77.437
Unit cell angles	90.00, 90.72, 90.00

Refinement procedure

Resolution	38.401 - 1.601
R-factor	0.1778
Rwork	0.176
R-free	0.21100
Structure solution method	MOLECULAR REPLACEMENT
Starting model (for MR)	2psj
Data reduction software	XDS
Data scaling software	Aimless (0.7.4)
Phasing software	PHASER
Refinement software	PHENIX (1.14-3260-000)

Data quality characteristics

	Overall	Inner shell	Outer shell
Low resolution limit [Å]	43.950	43.950	1.630
High resolution limit [Å]	1.600	8.770	1.600
Rmerge	0.054	0.020	1.057
Rmeas	0.059	0.022	1.151
Rpim	0.023	0.011	0.446
Total number of observations	585268
Number of reflections	86744	553	4170
<I/σ(I)>	20
Completeness [%]	99.8	98.7	97.3
Redundancy	6.7	6.4	6.4
CC(1/2)	0.998	0.988	0.674

Crystallization Conditions

crystal ID	method	pH	temperature	details
1	VAPOR DIFFUSION, HANGING DROP	6.5	293.5	PEG3350, Bis-tris