7N6J

Crystal structure of the substrate-binding domain of E. coli DnaK in complex with the peptide RKQSTIALALLPLLFTPRR

Replaces:  7JM8Replaces:  7JML

Experimental procedure

Experimental method	SINGLE WAVELENGTH
Source type	ROTATING ANODE
Source details	RIGAKU MICROMAX-007 HF
Temperature [K]	100
Detector technology	PIXEL
Collection date	2019-05-01
Detector	DECTRIS PILATUS3 R 200K-A
Wavelength(s)	1.5418
Spacegroup name	I 2 2 2
Unit cell lengths	47.330, 57.568, 181.467
Unit cell angles	90.00, 90.00, 90.00

Refinement procedure

Resolution	33.930 - 2.000
R-factor	0.2103
Rwork	0.207
R-free	0.26540
Structure solution method	MOLECULAR REPLACEMENT
Starting model (for MR)	1dkz
RMSD bond length	0.008
RMSD bond angle	1.487
Data reduction software	HKL-2000
Data scaling software	HKL-2000
Phasing software	PHASER
Refinement software	REFMAC (5.8.0258)

Data quality characteristics

	Overall	Inner shell	Outer shell
Low resolution limit [Å]	50.000	50.000	2.030
High resolution limit [Å]	2.000	5.430	2.000
Rmerge	0.154	0.063
Rmeas	0.167	0.070
Rpim	0.068	0.030	0.532
Total number of observations	107879
Number of reflections	17179	951	832
<I/σ(I)>	5.2
Completeness [%]	99.8	99.5	99.6
Redundancy	6.3	5.4	5.8
CC(1/2)		0.995	0.681

Crystallization Conditions

crystal ID	method	pH	temperature	details
1	VAPOR DIFFUSION, HANGING DROP	7	293	2.4 M (NH4)2SO4, 0.1 M K3PO4 pH 7.0