5E0B

Crystal structure of the complex of Peptidoglycan recognition protein PGRP-S with N-Acetyl Muramic acid at 2.6 A resolution

Experimental procedure

Experimental method	SINGLE WAVELENGTH
Source type	SYNCHROTRON
Source details	ESRF BEAMLINE BM14
Synchrotron site	ESRF
Beamline	BM14
Temperature [K]	77
Detector technology	CCD
Collection date	2009-07-06
Detector	MARRESEARCH
Wavelength(s)	0.97
Spacegroup name	I 2 2 2
Unit cell lengths	88.205, 101.510, 162.998
Unit cell angles	90.00, 90.00, 90.00

Refinement procedure

Resolution	19.790 - 2.600
R-factor	0.226
Rwork	0.226
R-free	0.24300
Structure solution method	MOLECULAR REPLACEMENT
Starting model (for MR)	3c2x
RMSD bond length	0.010
RMSD bond angle	1.800
Data scaling software	SCALEPACK
Refinement software	CNS (1.1)

Data quality characteristics

	Overall	Outer shell
Low resolution limit [Å]	20.000	2.690
High resolution limit [Å]	2.600	2.600
Number of reflections	22829
<I/σ(I)>	11	2
Completeness [%]	99.8	100
Redundancy	4.2

Crystallization Conditions

crystal ID	method	pH	temperature	details
1	VAPOR DIFFUSION, HANGING DROP		298	0.2M SODIUM POTASSIUM TARTRATE, 10% PEG 3350, PH 7.8