7F4X

Joint neutron and X-ray crystal structure of the nucleotide-binding domain of Hsp72 in complex with ADP

Experimental procedure

Experimental method	SINGLE WAVELENGTH
Source type	SYNCHROTRON
Source details	PHOTON FACTORY BEAMLINE AR-NW12A
Synchrotron site	Photon Factory
Beamline	AR-NW12A
Temperature [K]	298
Detector technology	PIXEL
Collection date	2017-05-14
Detector	DECTRIS PILATUS 12M
Wavelength(s)	1.00
Spacegroup name	P 21 21 21
Unit cell lengths	46.677, 64.618, 145.593
Unit cell angles	90.00, 90.00, 90.00

Refinement procedure

Resolution	38.805 - 2.199
R-factor	0.186
Rwork	0.184
R-free	0.22200
Structure solution method	MOLECULAR REPLACEMENT
Starting model (for MR)	5aqz
RMSD bond length	0.007
RMSD bond angle	0.992
Data reduction software	DENZO
Data scaling software	SCALEPACK
Phasing software	MOLREP
Refinement software	PHENIX (1.8_1069)

Data quality characteristics

	Overall	Inner shell	Outer shell
Low resolution limit [Å]	44.450	2.260	1.660
High resolution limit [Å]	1.600	2.200	1.600
Rmeas	0.081	0.374	0.733
Number of reflections	57639	1673	5579
<I/σ(I)>	13.5	2.9	2.4
Completeness [%]	97.5	88.5	95.4
Redundancy	5.7	2.1	5.9

Crystallization Conditions

crystal ID	method	pH	temperature	details
1	VAPOR DIFFUSION, SITTING DROP		293	20-25% PEG 2000 MME, 90 mMsodium acetate, 10 mM acetic acid, 200 mM MgCl2, 10%(v/v) glycerol
1	VAPOR DIFFUSION, SITTING DROP		293	20-25% PEG 2000 MME, 90 mMsodium acetate, 10 mM acetic acid, 200 mM MgCl2, 10%(v/v) glycerol