7JNE

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

Experimental procedure

Experimental method	SINGLE WAVELENGTH
Source type	ROTATING ANODE
Source details	RIGAKU MICROMAX-007 HF
Temperature [K]	100
Detector technology	PIXEL
Collection date	2020-01-29
Detector	DECTRIS PILATUS3 R 200K-A
Wavelength(s)	1.5418
Spacegroup name	I 2 2 2
Unit cell lengths	37.261, 95.872, 117.008
Unit cell angles	90.00, 90.00, 90.00

Refinement procedure

Resolution	37.110 - 2.540
R-factor	0.2211
Rwork	0.215
R-free	0.33430
Structure solution method	MOLECULAR REPLACEMENT
Starting model (for MR)	1dkz
RMSD bond length	0.008
RMSD bond angle	1.566
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]	2.540	6.940	2.560
Rmerge	0.246	0.097	2.042
Rmeas	0.269	0.109	2.272
Rpim	0.108	0.047	0.975
Number of reflections	7047	401	349
<I/σ(I)>	4.4
Completeness [%]	99.8	99.5	96.9
Redundancy	6	5.1	5
CC(1/2)		0.991	0.412

Crystallization Conditions

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