7GYD

Crystal Structure of HSP72 in complex with ligand 10 at 11.40 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	47.970, 89.740, 97.230
Unit cell angles	90.00, 90.00, 90.00

Refinement procedure

Resolution	34.150 - 1.920
R-factor	0.175
Rwork	0.172
R-free	0.22700
Structure solution method	FOURIER SYNTHESIS
RMSD bond length	0.010
RMSD bond angle	1.000
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]	38.790	38.790	1.970
High resolution limit [Å]	1.920	9.010	1.920
Rmerge	0.133	0.073	0.947
Rmeas	0.145	0.081	1.031
Rpim	0.058	0.034	0.406
Total number of observations	206125	2019	13670
Number of reflections	32851	384	2142
<I/σ(I)>	7.2	16.6	1.9
Completeness [%]	100.0	98.9	100
Redundancy	6.3	5.3	6.4
CC(1/2)	0.995	0.990	0.552

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