7XFY

Crystal structure of the ternary complex of Peptidoglycan recognition protein, PGRP-S with hexanoic and tartaric acids at 2.67 A resolution.

Replaces:  6JX8

Experimental procedure

Experimental method	SINGLE WAVELENGTH
Source type	SYNCHROTRON
Source details	ESRF BEAMLINE MASSIF-1
Synchrotron site	ESRF
Beamline	MASSIF-1
Temperature [K]	100
Detector technology	PIXEL
Collection date	2018-11-07
Detector	DECTRIS PILATUS3 2M
Wavelength(s)	0.966
Spacegroup name	I 2 2 2
Unit cell lengths	89.583, 101.026, 163.412
Unit cell angles	90.00, 90.00, 90.00

Refinement procedure

Resolution	85.930 - 2.670
Rwork	0.175
R-free	0.26570
Structure solution method	MOLECULAR REPLACEMENT
Starting model (for MR)	5dwf
RMSD bond length	0.011
RMSD bond angle	1.650
Data reduction software	XDS
Data scaling software	XSCALE
Phasing software	MOLREP
Refinement software	REFMAC (5.8.0258)

Data quality characteristics

	Overall	Outer shell
Low resolution limit [Å]	85.930	2.710
High resolution limit [Å]	2.670	2.670
Rmerge	0.113	0.718
Rpim	0.060	0.367
Number of reflections	19639	1087
<I/σ(I)>	12.6	4.6
Completeness [%]	91.5	90
Redundancy	4.4	4.6
CC(1/2)	0.994	0.776

Crystallization Conditions

crystal ID	method	pH	temperature	details
1	VAPOR DIFFUSION, HANGING DROP	8.5	298	10% PEG 3350 0.2M Sodium potassium tartrate 20% Glycerol.