4P2V

Structure of the AI-2 processing enzyme LsrF in complex with the product of the LsrG reaction P-HPD

Experimental procedure

Experimental method	SINGLE WAVELENGTH
Source type	SYNCHROTRON
Source details	NSLS BEAMLINE X29A
Synchrotron site	NSLS
Beamline	X29A
Temperature [K]	100
Detector technology	CCD
Collection date	2013-08-02
Detector	ADSC QUANTUM 315
Wavelength(s)	1.0750
Spacegroup name	P 1 21 1
Unit cell lengths	78.617, 105.742, 170.402
Unit cell angles	90.00, 101.43, 90.00

Refinement procedure

Resolution	49.260 - 2.510
R-factor	0.237
Rwork	0.235
R-free	0.27100
Structure solution method	MOLECULAR REPLACEMENT
Starting model (for MR)	3gkf
RMSD bond length	0.007
RMSD bond angle	1.371
Refinement software	PHENIX ((PHENIX.REFINE: DEV_1626))

Data quality characteristics

	Overall	Outer shell
Low resolution limit [Å]	49.263	2.600
High resolution limit [Å]	2.510	2.510
Rmerge	0.104	0.491
Number of reflections	92529
<I/σ(I)>	9.32	2.47
Completeness [%]	99.0	97
Redundancy	3.6	3.6

Crystallization Conditions

crystal ID	method	pH	temperature	details
1	VAPOR DIFFUSION, HANGING DROP	8	295	21% PEG 400, 110 mM MgCl2, 1 mM DTT, and 100 mM Tris pH 8.0 well solution. Drop was 1ul protein (7.3mg/ml) and 1 ul well solution.