21FD

Neutron crystal structure of the apo form of the human Hsp90 N-terminal domain

Experimental procedure

Experimental method	LAUE
Source type	SPALLATION SOURCE
Source details	J-PARC MLF BEAMLINE BL-03
Synchrotron site	JPARC MLF
Beamline	BL-03
Temperature [K]	298
Detector technology	DIFFRACTOMETER
Collection date	2019-04-05
Detector	iBIX
Wavelength(s)	2.14-6.05
Spacegroup name	I 2 2 2
Unit cell lengths	66.440, 90.240, 101.010
Unit cell angles	90.00, 90.00, 90.00

Refinement procedure

Resolution	19.510 - 2.100
R-factor	0.1908
Rwork	0.190
R-free	0.21290
Structure solution method	MOLECULAR REPLACEMENT
RMSD bond length	0.009
RMSD bond angle	1.004

Data quality characteristics

	Overall	Outer shell
Low resolution limit [Å]	21.800	2.210
High resolution limit [Å]	2.100	2.100
Rmerge	0.261	0.786
Rpim	0.109	0.345
Number of reflections	17805	2561
<I/σ(I)>	5.7	1.7
Completeness [%]	98.8	98.8
Redundancy	6.3	5.9
CC(1/2)	0.981	0.694

Crystallization Conditions

crystal ID	method	pH	temperature	details
1	VAPOR DIFFUSION, SITTING DROP	8.5	283	15% (w/v) PEG 4000, 0.1M Tris-HCl pH 8.5, 0.2M MgCl2