7SNR

2.00A 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	2013-06-14
Detector	DECTRIS PILATUS 6M
Wavelength(s)	1.0000
Spacegroup name	P 21 21 2
Unit cell lengths	132.188, 55.800, 55.954
Unit cell angles	90.00, 90.00, 90.00

Refinement procedure

Resolution	42.710 - 2.000
R-factor	0.1854
Rwork	0.184
R-free	0.21320
Structure solution method	SAD
Data reduction software	XDS
Data scaling software	Aimless (0.1.29)
Phasing software	SHELX
Refinement software	PHENIX (dev_4289)

Data quality characteristics

	Overall	Inner shell	Outer shell
Low resolution limit [Å]	44.060	44.060	2.050
High resolution limit [Å]	2.000	8.940	2.000
Rmerge	0.160	0.054	1.304
Rmeas	0.167	0.056	1.355
Rpim	0.046	0.016	0.367
Total number of observations	378302	4400	27828
Number of reflections	28770	387	2062
<I/σ(I)>	14.3	50	2.3
Completeness [%]	100.0	98.7	100
Redundancy	13.1	11.4	13.5
CC(1/2)	0.998	0.999	0.756

Crystallization Conditions

crystal ID	method	pH	temperature	details
1	VAPOR DIFFUSION, SITTING DROP	4.6	291	1.0 M ammonium citrate dibasic, 0.1 M sodium acetate trihydrate