7F50

X-ray crystal structure of Y149A mutated Hsp72-NBD in complex with AMPPnP

Experimental procedure

Experimental method	SINGLE WAVELENGTH
Source type	SYNCHROTRON
Source details	PHOTON FACTORY BEAMLINE BL-17A
Synchrotron site	Photon Factory
Beamline	BL-17A
Temperature [K]	100
Detector technology	PIXEL
Collection date	2020-02-28
Detector	DECTRIS EIGER X 16M
Wavelength(s)	0.98
Spacegroup name	P 21 21 21
Unit cell lengths	45.827, 61.968, 142.779
Unit cell angles	90.00, 90.00, 90.00

Refinement procedure

Resolution	36.846 - 1.703
R-factor	0.1876
Rwork	0.185
R-free	0.22720
Structure solution method	MOLECULAR REPLACEMENT
Starting model (for MR)	5aqz
RMSD bond length	0.006
RMSD bond angle	0.812
Data reduction software	XDS
Data scaling software	XSCALE
Phasing software	PHENIX
Refinement software	PHENIX ((1.12_2829: ???))

Data quality characteristics

	Overall	Outer shell
Low resolution limit [Å]	37.750	1.760
High resolution limit [Å]	1.700	1.700
Rmeas	0.074	0.713
Rpim	0.034	0.337
Number of reflections	44823	4381
<I/σ(I)>	13.9	2.5
Completeness [%]	98.8	97.6
Redundancy	4.5	4.1
CC(1/2)	0.998	0.771

Crystallization Conditions

crystal ID	method	pH	temperature	details
1	VAPOR DIFFUSION, HANGING DROP		293	29% PEG550 MME, 200 mM MgCl2 and 100 mM Tris-HCl pH 7.0