7GY6

Crystal Structure of HSP72 in complex with ligand 10 at 3.42 MGy X-ray dose.

Experimental procedure

Experimental method	SINGLE WAVELENGTH
Source type	SYNCHROTRON
Source details	DIAMOND BEAMLINE I24
Synchrotron site	Diamond
Beamline	I24
Temperature [K]	100
Detector technology	PIXEL
Collection date	2018-07-14
Detector	DECTRIS PILATUS3 6M
Wavelength(s)	0.9192
Spacegroup name	P 21 21 21
Unit cell lengths	47.800, 89.410, 96.810
Unit cell angles	90.00, 90.00, 90.00

Refinement procedure

Resolution	34.010 - 1.920
R-factor	0.171
Rwork	0.168
R-free	0.21600
Structure solution method	FOURIER SYNTHESIS
RMSD bond length	0.010
RMSD bond angle	0.980
Data scaling software	Aimless (0.7.1)
Phasing software	BUSTER (2.10.3)
Refinement software	BUSTER (2.10.3)

Data quality characteristics

	Overall	Inner shell	Outer shell
Low resolution limit [Å]	38.650	38.650	1.970
High resolution limit [Å]	1.920	9.010	1.920
Rmerge	0.091	0.073	0.359
Rmeas	0.100	0.082	0.391
Rpim	0.040	0.035	0.153
Total number of observations	204179	1994	13622
Number of reflections	32478	378	2135
<I/σ(I)>	10.9	17.9	4.5
Completeness [%]	100.0	98.9	100
Redundancy	6.3	5.3	6.4
CC(1/2)	0.994	0.988	0.933

Crystallization Conditions

crystal ID	method	pH	temperature	details
1	VAPOR DIFFUSION, HANGING DROP	7	291	100 mM HEPES pH 7.5, 18-28% PEG 3350, 2 mM MgCL2, 2 mM NAH2PO4, 5 mM 8-BROMOADENOSINE