7JMM

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

Experimental procedure

Experimental method	SINGLE WAVELENGTH
Source type	ROTATING ANODE
Source details	RIGAKU MICROMAX-007 HF
Temperature [K]	100
Detector technology	PIXEL
Collection date	2019-06-27
Detector	DECTRIS PILATUS3 R 200K-A
Wavelength(s)	1.5418
Spacegroup name	I 2 2 2
Unit cell lengths	38.126, 95.494, 117.374
Unit cell angles	90.00, 90.00, 90.00

Refinement procedure

Resolution	47.790 - 2.560
R-factor	0.2217
Rwork	0.217
R-free	0.32670
Structure solution method	MOLECULAR REPLACEMENT
Starting model (for MR)	1dkz
RMSD bond length	0.007
RMSD bond angle	1.523
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	2.600
High resolution limit [Å]	2.560	6.940	2.560
Rmerge	0.148	0.083
Rmeas	0.161	0.093
Rpim	0.079	0.040
Total number of observations	43951
Number of reflections	7236	419	350
<I/σ(I)>	5.2
Completeness [%]	99.9	100	98.9
Redundancy	6.1	5.3	5.1
CC(1/2)		0.995	0.435

Crystallization Conditions

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