13IU

E. coli DnaK bound to peptide PA9

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	I 2 2 2
Unit cell lengths	37.454, 94.836, 116.590
Unit cell angles	90.00, 90.00, 90.00

Refinement procedure

Resolution	26.970 - 1.870
R-factor	0.2421
Rwork	0.241
R-free	0.26280
Structure solution method	MOLECULAR REPLACEMENT
RMSD bond length	0.006
RMSD bond angle	1.075
Data reduction software	autoPROC
Data scaling software	autoPROC
Phasing software	PHENIX
Refinement software	PHENIX (1.20.1_4487)

Data quality characteristics

	Overall	Outer shell
Low resolution limit [Å]	28.500	1.900
High resolution limit [Å]	1.870	1.870
Rmerge	0.090
Rpim	0.053
Number of reflections	16389	860
<I/σ(I)>	8	0.7
Completeness [%]	92.8	99.7
Redundancy	4.9	5.2
CC(1/2)	0.998	0.434

Crystallization Conditions

crystal ID	method	pH	temperature	details
1	VAPOR DIFFUSION, HANGING DROP		291.15	0.2 M NH4F and 2.2 M (NH4)2SO4