4F00

Crystal structure of the substrate binding domain of E.coli DnaK in complex with an apidaecin fragment from the bumblebee (residues 3 to 11)

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	2011-07-27
Detector	MARMOSAIC 225 mm CCD
Wavelength(s)	0.918
Spacegroup name	I 2 2 2
Unit cell lengths	94.156, 116.201, 37.169
Unit cell angles	90.00, 90.00, 90.00

Refinement procedure

Resolution	25.000 - 1.950
R-factor	0.19493
Rwork	0.192
R-free	0.24220
Structure solution method	PDB ID 1DKZ
RMSD bond length	0.018
RMSD bond angle	1.940
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	2.060
High resolution limit [Å]	1.950	1.950
Rmerge	0.056	0.401
Number of reflections	15317
Completeness [%]	99.9	100
Redundancy		4.9

Crystallization Conditions

crystal ID	method	pH	temperature	details
1	VAPOR DIFFUSION, HANGING DROP	4	292	2.4 M sodium malonate 0.1 M citric acid pH 4.0, VAPOR DIFFUSION, HANGING DROP, temperature 292K