6ABH

Structure of a natural red emitting luciferase from Phrixothrix hirtus (P1 crystal form)

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	2015-12-06
Detector	DECTRIS PILATUS 2M-F
Wavelength(s)	1
Spacegroup name	P 1
Unit cell lengths	105.697, 121.174, 129.443
Unit cell angles	61.86, 68.35, 74.17

Refinement procedure

Resolution	48.762 - 3.050
R-factor	0.2408
Rwork	0.240
R-free	0.28540
Structure solution method	MOLECULAR REPLACEMENT
Starting model (for MR)	6aaa
RMSD bond length	0.012
RMSD bond angle	1.622
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]	48.762	3.210
High resolution limit [Å]	3.050	3.050
Rmerge	0.111	1.046
Rmeas	0.123	1.163
Rpim	0.053	0.497
Number of reflections	98610	14365
<I/σ(I)>	14.5	2
Completeness [%]	94.1
Redundancy	5.2	5.3
CC(1/2)	0.998	0.769

Crystallization Conditions

crystal ID	method	pH	temperature	details
1	VAPOR DIFFUSION, HANGING DROP		291.15	19-21% PEG 3350, 0.1M Bis-tris propane (pH 6.0, supplemented with 0.2M ammonium sulfate)