7GYQ

Crystal Structure of HSP72 in complex with ligand 11 at 11.44 MGy X-ray dose

This is a non-PDB format compatible entry.

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	52.210, 82.260, 93.680
Unit cell angles	90.00, 90.00, 90.00

Refinement procedure

Resolution	23.500 - 2.150
R-factor	0.167
Rwork	0.165
R-free	0.21500
Structure solution method	FOURIER SYNTHESIS
RMSD bond length	0.010
RMSD bond angle	0.980
Data scaling software	Aimless (0.7.4)
Phasing software	BUSTER (2.10.3)
Refinement software	BUSTER (2.10.3)

Data quality characteristics

	Overall	Inner shell	Outer shell
Low resolution limit [Å]	39.890	39.890	2.220
High resolution limit [Å]	2.150	8.860	2.150
Rmerge	0.091	0.030	0.602
Rmeas	0.100	0.033	0.657
Rpim	0.039	0.014	0.261
Total number of observations	142663	2029	12144
Number of reflections	22642	380	1926
<I/σ(I)>	11.1	25.7	3
Completeness [%]	100.0	99.1	100
Redundancy	6.3	5.3	6.3
CC(1/2)	0.998	0.997	0.813

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-CHLOROADENOSINE