13JK

E. coli DnaK bound to peptide PA5

This is a non-PDB format compatible entry.

Experimental procedure

Experimental method	SINGLE WAVELENGTH
Source type	SYNCHROTRON
Source details	NSLS-II BEAMLINE 17-ID-1
Synchrotron site	NSLS-II
Beamline	17-ID-1
Temperature [K]	100
Detector technology	PIXEL
Collection date	2024-07-26
Detector	DECTRIS EIGER X 9M
Wavelength(s)	0.92010
Spacegroup name	P 21 21 2
Unit cell lengths	96.805, 118.963, 36.885
Unit cell angles	90.00, 90.00, 90.00

Refinement procedure

Resolution	29.820 - 2.620
R-factor	0.25
Rwork	0.246
R-free	0.28430
Structure solution method	MOLECULAR REPLACEMENT
RMSD bond length	0.006
RMSD bond angle	1.024
Data reduction software	HKL-2000
Data scaling software	HKL-2000
Phasing software	PHENIX
Refinement software	PHENIX (1.20.1_4487)

Data quality characteristics

	Overall	Outer shell
Low resolution limit [Å]	30.000	2.690
High resolution limit [Å]	2.600	2.600
Rmerge	0.102	1.379
Rmeas	0.114	1.541
Rpim	0.050	0.671
Number of reflections	13392	1294
<I/σ(I)>	44.3	2.3
Completeness [%]	99.3
Redundancy	5.1
CC(1/2)	0.996	0.501

Crystallization Conditions

crystal ID	method	pH	temperature	details
1	VAPOR DIFFUSION, HANGING DROP		291.15	0.2 M NH4I, 2.2 M (NH4)2SO4