6AAA

Structure of a blue-shifted Luciferase from Amydetes vivianii

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	2014-08-24
Detector	DECTRIS PILATUS 2M
Wavelength(s)	1.0
Spacegroup name	P 21 21 21
Unit cell lengths	94.279, 110.530, 122.070
Unit cell angles	90.00, 90.00, 90.00

Refinement procedure

Resolution	28.082 - 1.900
R-factor	0.1937
Rwork	0.192
R-free	0.21890
Structure solution method	MOLECULAR REPLACEMENT
Starting model (for MR)	4e5d
RMSD bond length	0.003
RMSD bond angle	0.757
Data reduction software	iMOSFLM
Data scaling software	SCALA
Phasing software	Auto-Rickshaw
Refinement software	PHENIX (1.9_1692)

Data quality characteristics

	Overall	Outer shell
Low resolution limit [Å]	28.100	1.960
High resolution limit [Å]	1.900	1.900
Rmerge	0.180	1.400
Rpim	0.035	0.480
Number of reflections	100333	14607
<I/σ(I)>	17	1.8
Completeness [%]	100.0
Redundancy	10.2

Crystallization Conditions

crystal ID	method	pH	temperature	details
1	VAPOR DIFFUSION, SITTING DROP		291.15	1.6M sodium citrate, supplemented with 0.2M MgCl2