5LSH

human lysozyme in complex with a tetrasaccharide fragment of the O-chain of LPS from Klebsiella pneumoniae

Experimental procedure

Experimental method	SINGLE WAVELENGTH
Source type	SYNCHROTRON
Source details	PETRA III, EMBL c/o DESY BEAMLINE P13 (MX1)
Synchrotron site	PETRA III, EMBL c/o DESY
Beamline	P13 (MX1)
Temperature [K]	100
Detector technology	PIXEL
Collection date	2015-10-24
Detector	DECTRIS PILATUS3 6M
Wavelength(s)	0.9762
Spacegroup name	P 21 21 21
Unit cell lengths	33.108, 56.040, 60.531
Unit cell angles	90.00, 90.00, 90.00

Refinement procedure

Resolution	30.265 - 1.061
R-factor	0.1813
Rwork	0.180
R-free	0.20320
Structure solution method	MOLECULAR REPLACEMENT
Starting model (for MR)	1rex
RMSD bond length	0.013
RMSD bond angle	1.569
Data reduction software	XDS
Data scaling software	XSCALE
Phasing software	MOLREP
Refinement software	PHENIX ((1.10.1_2155))

Data quality characteristics

	Overall	Outer shell
Low resolution limit [Å]	30.265	1.099
High resolution limit [Å]	1.061	1.061
Rmerge	0.072
Number of reflections	47721
<I/σ(I)>	17.06	1.52
Completeness [%]	92.0	69
Redundancy	11.9	9.8
CC(1/2)	1.000	0.633

Crystallization Conditions

crystal ID	method	pH	temperature	details
1	VAPOR DIFFUSION, HANGING DROP		291	0.8 M NaCl, 25 mM NaOAc, pH 5.4