6FRI

Structure of LuxB from Photobacterium leiognathi

Experimental procedure

Experimental method	SINGLE WAVELENGTH
Source type	SYNCHROTRON
Source details	ESRF BEAMLINE ID14-1
Synchrotron site	ESRF
Beamline	ID14-1
Temperature [K]	100
Detector technology	CCD
Collection date	2013-10-08
Detector	MAR CCD 130 mm
Wavelength(s)	1.0
Spacegroup name	P 1
Unit cell lengths	47.324, 52.487, 157.662
Unit cell angles	93.38, 90.12, 114.14

Refinement procedure

Resolution	42.089 - 2.297
R-factor	0.2231
Rwork	0.221
R-free	0.27100
Structure solution method	MOLECULAR REPLACEMENT
Starting model (for MR)	3fgc
RMSD bond length	0.002
RMSD bond angle	0.474
Data reduction software	XDS
Data scaling software	XSCALE
Phasing software	PHASER
Refinement software	PHENIX ((1.11.1_2575))

Data quality characteristics

	Overall	Outer shell
Low resolution limit [Å]	42.000	2.380
High resolution limit [Å]	2.300	2.300
Rmerge	0.147	0.696
Rpim	0.103	0.488
Number of reflections	60104
<I/σ(I)>	19.45
Completeness [%]	95.1
Redundancy	3.1
CC(1/2)	0.985	0.657

Crystallization Conditions

crystal ID	method	pH	temperature	details
1	VAPOR DIFFUSION, SITTING DROP		293	0.1 M BisTris pH 5 40 mM NH4 Acetate 40% MPD