7N6L

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

Replaces:  7JMZ

Experimental procedure

Experimental method	SINGLE WAVELENGTH
Source type	ROTATING ANODE
Source details	RIGAKU MICROMAX-007 HF
Temperature [K]	100
Detector technology	PIXEL
Collection date	2020-04-14
Detector	DECTRIS PILATUS3 R 200K-A
Wavelength(s)	1.5418
Spacegroup name	I 2 2 2
Unit cell lengths	37.621, 95.607, 117.614
Unit cell angles	90.00, 90.00, 90.00

Refinement procedure

Resolution	47.850 - 2.400
R-factor	0.2597
Rwork	0.256
R-free	0.33230
Structure solution method	MOLECULAR REPLACEMENT
Starting model (for MR)	1dkz
RMSD bond length	0.005
RMSD bond angle	1.407
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	2.430
High resolution limit [Å]	2.390	6.480	2.390
Rmerge	0.166	0.100	2.182
Rmeas	0.186	0.113	2.581
Rpim	0.080	0.050	1.339
Total number of observations	42388
Number of reflections	8602	488	406
<I/σ(I)>	8.7
Completeness [%]	98.9	99.2	92.3
Redundancy	4.9	4.8	3.2
CC(1/2)		0.996	0.332

Crystallization Conditions

crystal ID	method	pH	temperature	details
1	VAPOR DIFFUSION, HANGING DROP	7	293	2.8 M (NH4)2SO4, 0.1 M K3PO4