6GFA

Structure of Nucleotide binding domain of HSP110, ATP and Mg2+ complexed

Experimental procedure

Experimental method	SINGLE WAVELENGTH
Source type	SYNCHROTRON
Source details	ESRF BEAMLINE ID23-1
Synchrotron site	ESRF
Beamline	ID23-1
Temperature [K]	100
Detector technology	PIXEL
Collection date	2016-07-08
Detector	DECTRIS PILATUS3 6M
Wavelength(s)	0.972960
Spacegroup name	P 61 2 2
Unit cell lengths	109.780, 109.780, 144.220
Unit cell angles	90.00, 90.00, 120.00

Refinement procedure

Resolution	57.453 - 2.000
R-factor	0.1893
Rwork	0.187
R-free	0.22880
Structure solution method	MOLECULAR REPLACEMENT
Starting model (for MR)	2qxl
RMSD bond length	0.009
RMSD bond angle	1.111
Data reduction software	XDS
Data scaling software	XSCALE
Phasing software	PHASER
Refinement software	PHENIX (1.9_1692)

Data quality characteristics

	Overall	Outer shell
Low resolution limit [Å]	57.453	2.100
High resolution limit [Å]	2.000	2.000
Rmeas	0.015	0.256
Number of reflections	35275	4700
<I/σ(I)>	29.76	2.02
Completeness [%]	99.9	100
Redundancy	35.45	30.31
CC(1/2)	1.000	0.720

Crystallization Conditions

crystal ID	method	pH	temperature	details
1	VAPOR DIFFUSION, HANGING DROP	8	298	NBDHSP110 at 4 mg/ml, 30% (w/v) PEG4000, Tris 100 mM, pH 8.5, MgCl2 0.2 M