7GYR

Crystal Structure of HSP72 in complex with ligand 11 at 12.87 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	52.120, 82.430, 93.820
Unit cell angles	90.00, 90.00, 90.00

Refinement procedure

Resolution	23.530 - 2.150
R-factor	0.168
Rwork	0.165
R-free	0.21200
Structure solution method	FOURIER SYNTHESIS
RMSD bond length	0.010
RMSD bond angle	0.990
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]	39.870	39.870	2.220
High resolution limit [Å]	2.150	8.860	2.150
Rmerge	0.095	0.033	0.678
Rmeas	0.104	0.037	0.740
Rpim	0.041	0.016	0.293
Total number of observations	142893	2030	12307
Number of reflections	22705	381	1950
<I/σ(I)>	10.1	23.1	2.6
Completeness [%]	100.0	99.1	100
Redundancy	6.3	5.3	6.3
CC(1/2)	0.998	0.998	0.848

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