7XU8

Structure of the complex of camel peptidoglycan recognition protein-short (PGRP-S) with heptanoic acid at 2.15 A resolution.

Replaces:  3UML

Experimental procedure

Experimental method	SINGLE WAVELENGTH
Source type	SYNCHROTRON
Source details	ESRF BEAMLINE BM14
Synchrotron site	ESRF
Beamline	BM14
Temperature [K]	80
Detector technology	CCD
Collection date	2011-10-05
Detector	MAR CCD 165 mm
Wavelength(s)	0.97
Spacegroup name	I 2 2 2
Unit cell lengths	89.896, 101.637, 163.394
Unit cell angles	90.00, 90.00, 90.00

Refinement procedure

Resolution	43.150 - 2.150
Rwork	0.220
R-free	0.28190
Structure solution method	MOLECULAR REPLACEMENT
Starting model (for MR)	3c2x
RMSD bond length	0.006
RMSD bond angle	1.425
Data reduction software	DENZO
Data scaling software	SCALEPACK
Phasing software	AMoRE
Refinement software	REFMAC (5.8.0267)

Data quality characteristics

	Overall	Outer shell
Low resolution limit [Å]	43.150	2.200
High resolution limit [Å]	2.150	2.150
Number of reflections	40935	2987
<I/σ(I)>	13.1	3.8
Completeness [%]	99.7	99.7
Redundancy	6.5
CC(1/2)	0.950	0.919

Crystallization Conditions

crystal ID	method	pH	temperature	details
1	VAPOR DIFFUSION, HANGING DROP	7.8	298	20% glycerol, 6% PEG3350