7JN9

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

Experimental procedure

Experimental method	SINGLE WAVELENGTH
Source type	ROTATING ANODE
Source details	RIGAKU MICROMAX-007 HF
Temperature [K]	100
Detector technology	PIXEL
Collection date	2019-08-05
Detector	DECTRIS PILATUS3 R 200K-A
Wavelength(s)	1.5418
Spacegroup name	I 2 2 2
Unit cell lengths	37.269, 95.610, 116.980
Unit cell angles	90.00, 90.00, 90.00

Refinement procedure

Resolution	30.770 - 2.400
R-factor	0.2271
Rwork	0.224
R-free	0.28640
Structure solution method	MOLECULAR REPLACEMENT
Starting model (for MR)	1dkz
RMSD bond length	0.006
RMSD bond angle	1.446
Data reduction software	HKL-2000
Data scaling software	HKL-2000
Phasing software	PHASER
Refinement software	REFMAC (5.8.0238)

Data quality characteristics

	Overall	Inner shell	Outer shell
Low resolution limit [Å]	50.000	50.000	2.440
High resolution limit [Å]	2.400	6.510	2.400
Rmerge	0.152	0.059
Rmeas	0.167	0.069
Rpim	0.090	0.035	0.714
Total number of observations	35881
Number of reflections	8444	471	400
<I/σ(I)>	5.2
Completeness [%]	99.4	97.7	97.8
Redundancy	4.2	3.6	3.8
CC(1/2)		0.996	0.615

Crystallization Conditions

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