6ZYI

Crystal structure of HSP70 ATPase domain in complex with ADP and calcium

Experimental procedure

Experimental method	SINGLE WAVELENGTH
Source type	SYNCHROTRON
Source details	DIAMOND BEAMLINE I04
Synchrotron site	Diamond
Beamline	I04
Temperature [K]	100
Detector technology	PIXEL
Collection date	2019-07-01
Detector	DECTRIS PILATUS 6M-F
Wavelength(s)	0.97951
Spacegroup name	P 21 21 21
Unit cell lengths	46.168, 63.711, 144.499
Unit cell angles	90.00, 90.00, 90.00

Refinement procedure

Resolution	29.520 - 1.520
R-factor	0.1965
Rwork	0.196
R-free	0.21230
Structure solution method	MOLECULAR REPLACEMENT
Starting model (for MR)	3iuc
RMSD bond length	0.002
RMSD bond angle	1.163
Data reduction software	xia2
Data scaling software	Aimless
Phasing software	PHASER
Refinement software	REFMAC (5.8.0258)

Data quality characteristics

	Overall	Outer shell
Low resolution limit [Å]	29.530	1.540
High resolution limit [Å]	1.520	1.520
Rmerge	0.065	0.703
Number of reflections	66932	3125
<I/σ(I)>	14
Completeness [%]	99.7
Redundancy	6.7
CC(1/2)	0.998	0.814

Crystallization Conditions

crystal ID	method	pH	temperature	details
1	VAPOR DIFFUSION, SITTING DROP	8.4	293	10% PEG8000, 0.1M Tris Ph8.4, 0.2M CaCl2