4EZQ

Crystal structure of the substrate binding domain of E.coli DnaK in complex with the C-terminal part of pyrrhocoricin (residues 12 to 20)

Experimental procedure

Experimental method	SINGLE WAVELENGTH
Source type	SYNCHROTRON
Source details	BESSY BEAMLINE 14.2
Synchrotron site	BESSY
Beamline	14.2
Temperature [K]	100
Detector technology	CCD
Collection date	2010-06-02
Detector	MARMOSAIC 225 mm CCD
Wavelength(s)	0.91841
Spacegroup name	I 2 2 2
Unit cell lengths	94.620, 116.700, 38.170
Unit cell angles	90.00, 90.00, 90.00

Refinement procedure

Resolution	30.000 - 2.000
R-factor	0.23707
Rwork	0.235
R-free	0.32075
Structure solution method	PDB ENTRY 1DKZ
RMSD bond length	0.015
RMSD bond angle	1.887
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]	30.000	2.110
High resolution limit [Å]	2.000	2.000
Rmerge	0.047	0.370
Number of reflections	14498
Completeness [%]	98.7	96.7
Redundancy		4

Crystallization Conditions

crystal ID	method	pH	temperature	details
1	VAPOR DIFFUSION, HANGING DROP	9	292	3.2 M ammonium sulfate, 0.1 M bicine pH 9.0, VAPOR DIFFUSION, HANGING DROP, temperature 292K