13JG

E. coli DnaK bound to peptide PA1, structure B

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	2024-10-18
Detector	DECTRIS EIGER X 9M
Wavelength(s)	0.92019
Spacegroup name	I 2 2 2
Unit cell lengths	37.900, 94.796, 117.444
Unit cell angles	90.00, 90.00, 90.00

Refinement procedure

Resolution	29.360 - 1.520
R-factor	0.2088
Rwork	0.208
R-free	0.22200
Structure solution method	MOLECULAR REPLACEMENT
RMSD bond length	0.007
RMSD bond angle	1.053
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]	30.190	1.540
High resolution limit [Å]	1.520	1.520
Rmerge	0.103
Rmeas	0.116	2.189
Rpim	0.054	1.009
Number of reflections	33185	1608
<I/σ(I)>	10.5	1.1
Completeness [%]	99.9	100
Redundancy	8.5	8.9
CC(1/2)	0.997

Crystallization Conditions

crystal ID	method	pH	temperature	details
1	VAPOR DIFFUSION, HANGING DROP		291.15	0.2 M NH4F and 2.4 M (NH4)2SO4