7N6K

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

Replaces:  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	2019-09-10
Detector	DECTRIS PILATUS3 R 200K-A
Wavelength(s)	1.5418
Spacegroup name	I 2 2 2
Unit cell lengths	37.763, 94.773, 117.109
Unit cell angles	90.00, 90.00, 90.00

Refinement procedure

Resolution	30.520 - 2.550
R-factor	0.2128
Rwork	0.208
R-free	0.30650
Structure solution method	MOLECULAR REPLACEMENT
Starting model (for MR)	1dkz
RMSD bond length	0.007
RMSD bond angle	1.563
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	2.580
High resolution limit [Å]	2.540	6.890	2.540
Rmerge	0.161	0.084
Rmeas	0.185	0.102
Rpim	0.117	0.057
Total number of observations	21502
Number of reflections	6943	376	313
<I/σ(I)>	4
Completeness [%]	96.6	91.3	89.9
Redundancy	3.1	2.6	2.7
CC(1/2)		0.986	0.307

Crystallization Conditions

crystal ID	method	pH	temperature	details
1	VAPOR DIFFUSION, HANGING DROP	6.9	293	2.6 M (NH4)2SO4, 0.1 M K3PO4