2XZ8

CRYSTAL STRUCTURE OF THE LFW ECTODOMAIN OF THE PEPTIDOGLYCAN RECOGNITION PROTEIN LF

Experimental procedure

Experimental method	SINGLE WAVELENGTH
Source type	SYNCHROTRON
Source details	ESRF BEAMLINE ID14-2
Synchrotron site	ESRF
Beamline	ID14-2
Temperature [K]	100
Detector technology	CCD
Collection date	2009-06-24
Detector	ADSC CCD
Spacegroup name	P 65 2 2
Unit cell lengths	82.240, 82.240, 178.620
Unit cell angles	90.00, 90.00, 120.00

Refinement procedure

Resolution	35.611 - 1.940
R-factor	0.1752
Rwork	0.173
R-free	0.20960
Structure solution method	MOLECULAR REPLACEMENT
Starting model (for MR)	2F2L (CHAIN A)
RMSD bond length	0.007
RMSD bond angle	1.015
Data reduction software	iMOSFLM
Data scaling software	SCALA
Phasing software	PHENIX
Refinement software	PHENIX ((PHENIX.REFINE))

Data quality characteristics

	Overall	Outer shell
Low resolution limit [Å]	37.820	2.040
High resolution limit [Å]	1.940	1.940
Rmerge	0.080	0.400
Number of reflections	27070
<I/σ(I)>	12.5	3.8
Completeness [%]	99.4	98.9
Redundancy	4	4.1

Crystallization Conditions

crystal ID	method	pH	temperature	details
1		3.8		45% PEG 300, 0.1M PHOSPHATE CITRATE PH 3.8.