8W1M

T.thermophilus DNAK nucleotide binding domain in complex with ADP

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	2020-10-30
Detector	DECTRIS EIGER X 9M
Wavelength(s)	0.9201
Spacegroup name	P 21 21 2
Unit cell lengths	90.761, 179.939, 66.587
Unit cell angles	90.00, 90.00, 90.00

Refinement procedure

Resolution	46.100 - 2.750
R-factor	0.227
Rwork	0.225
R-free	0.25940
Structure solution method	MOLECULAR REPLACEMENT
RMSD bond length	0.004
RMSD bond angle	0.685
Data reduction software	XDS
Data scaling software	XDS
Phasing software	PHASER
Refinement software	PHENIX (1.20.1_4487)

Data quality characteristics

	Overall	Outer shell
Low resolution limit [Å]	46.100	2.920
High resolution limit [Å]	2.750	2.750
Number of reflections	29004	4594
<I/σ(I)>	8.3	1.7
Completeness [%]	96.6	99.9
Redundancy	3.7	3.6
CC(1/2)	0.995	0.882

Crystallization Conditions

crystal ID	method	pH	temperature	details
1	VAPOR DIFFUSION, SITTING DROP	6.5	293.15	1:1 volume ratio of protein to reservoir Protein sample: 1.22 mM DnaK, 1.5 mM ADP Protein buffer: 20 mM HEPES pH 7.0, 75mM KCL, 5mM MgSO4 Well solution: 0.1 M NaCacodylate pH 6.5, 0.15 M CaAc, 42% PEG 600