7SNS

1.55A Resolution Structure of NanoLuc Luciferase

Experimental procedure

Experimental method	SINGLE WAVELENGTH
Source type	SYNCHROTRON
Source details	APS BEAMLINE 17-ID
Synchrotron site	APS
Beamline	17-ID
Temperature [K]	100
Detector technology	PIXEL
Collection date	2015-08-16
Detector	DECTRIS PILATUS 6M
Wavelength(s)	1.0000
Spacegroup name	P 1 21 1
Unit cell lengths	61.332, 61.266, 94.969
Unit cell angles	90.00, 92.08, 90.00

Refinement procedure

Resolution	39.040 - 1.550
R-factor	0.1651
Rwork	0.164
R-free	0.18940
Structure solution method	MOLECULAR REPLACEMENT
Starting model (for MR)	5ibo
Data reduction software	XDS
Data scaling software	Aimless (0.5.15)
Phasing software	PHASER (2.5.7)
Refinement software	PHENIX (dev_4289)

Data quality characteristics

	Overall	Inner shell	Outer shell
Low resolution limit [Å]	47.450	47.450	1.580
High resolution limit [Å]	1.550	8.490	1.550
Rmerge	0.049	0.027	0.571
Total number of observations	332167	2206	16356
Number of reflections	101022	648	5040
<I/σ(I)>	11.9	33.4	1.8
Completeness [%]	98.9	96.3	99.8
Redundancy	3.3	3.4	3.2
CC(1/2)	0.998	0.999	0.779

Crystallization Conditions

crystal ID	method	pH	temperature	details
1	VAPOR DIFFUSION, SITTING DROP	7	291	2.8 M Sodium acetate trihydrate, 0.1 M BIS-TRIS propane