13IQ

E. coli DnaK bound to Telaprevir

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	2024-06-14
Detector	DECTRIS EIGER X 9M
Wavelength(s)	0.92010
Spacegroup name	I 2 2 2
Unit cell lengths	35.769, 93.304, 109.332
Unit cell angles	90.00, 90.00, 90.00

Refinement procedure

Resolution	34.000 - 1.870
R-factor	0.2513
Rwork	0.250
R-free	0.26810
Structure solution method	MOLECULAR REPLACEMENT
RMSD bond length	0.004
RMSD bond angle	0.732
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]	34.000	1.900
High resolution limit [Å]	1.870	1.870
Rmerge	0.090
Rmeas	0.105
Rpim	0.053
Number of reflections	15407	769
<I/σ(I)>	9.2	0.7
Completeness [%]	98.2	99.9
Redundancy	7.2	7.8
CC(1/2)	0.999	0.394

Crystallization Conditions

crystal ID	method	pH	temperature	details
1	VAPOR DIFFUSION, HANGING DROP		291.15	0.2 M Na2HPO4 and 2.6 M (NH4)2SO4