7GY4

Crystal Structure of HSP72 in complex with ligand 10 at 1.14 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	47.741, 89.311, 96.701
Unit cell angles	90.00, 90.00, 90.00

Refinement procedure

Resolution	38.600 - 1.920
R-factor	0.171
Rwork	0.169
R-free	0.21500
Structure solution method	MOLECULAR REPLACEMENT
RMSD bond length	0.010
RMSD bond angle	0.990
Data scaling software	Aimless (0.7.1)
Phasing software	PHASER (2.8.2)
Refinement software	BUSTER (2.10.3)

Data quality characteristics

	Overall	Inner shell	Outer shell
Low resolution limit [Å]	38.600	38.600	1.970
High resolution limit [Å]	1.920	9.010	1.920
Rmerge	0.092	0.078	0.293
Rmeas	0.100	0.087	0.319
Rpim	0.040	0.037	0.125
Total number of observations	203744	1985	13606
Number of reflections	32381	377	2128
<I/σ(I)>	11.4	17.1	5.4
Completeness [%]	100.0	98.9	100
Redundancy	6.3	5.3	6.4
CC(1/2)	0.993	0.986	0.955

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