4EZZ

Crystal structure of the substrate binding domain of E.coli DnaK in complex with the designer peptide ELPLVKI

Experimental procedure

Experimental method	SINGLE WAVELENGTH
Source type	SYNCHROTRON
Source details	BESSY BEAMLINE 14.1
Synchrotron site	BESSY
Beamline	14.1
Temperature [K]	100
Detector technology	CCD
Collection date	2010-12-01
Detector	MARMOSAIC 225 mm CCD
Wavelength(s)	0.918
Spacegroup name	I 2 2 2
Unit cell lengths	93.711, 116.593, 37.056
Unit cell angles	90.00, 90.00, 90.00

Refinement procedure

Resolution	25.000 - 2.050
R-factor	0.22135
Rwork	0.218
R-free	0.30779
Structure solution method	PDB ID 1DKZ
RMSD bond length	0.016
RMSD bond angle	1.881
Data reduction software	XDS
Data scaling software	SCALA
Phasing software	REFMAC (with PDBID 1DKZ)
Refinement software	REFMAC (with PDBID 1DKZ)

Data quality characteristics

	Overall	Outer shell
Low resolution limit [Å]	25.000	2.160
High resolution limit [Å]	2.050	2.050
Rmerge	0.053	0.475
Number of reflections	12888
Completeness [%]	98.1	94.3
Redundancy		4

Crystallization Conditions

crystal ID	method	pH	temperature	details
1	VAPOR DIFFUSION, HANGING DROP	9	292	3.0 M ammonium sulfate, 0.1 M bicine pH 9.0, VAPOR DIFFUSION, HANGING DROP, temperature 292K