6GP4

Structure of human Heat shock protein 90-alpha N-terminal domain (Hsp90-NTD) variant K112A

Experimental procedure

Experimental method	SINGLE WAVELENGTH
Source type	SYNCHROTRON
Source details	DIAMOND BEAMLINE I04
Synchrotron site	Diamond
Beamline	I04
Temperature [K]	100
Detector technology	PIXEL
Collection date	2017-10-25
Detector	DECTRIS PILATUS3 S 6M
Wavelength(s)	0.97950
Spacegroup name	I 2 2 2
Unit cell lengths	65.198, 88.936, 100.158
Unit cell angles	90.00, 90.00, 90.00

Refinement procedure

Resolution	54.700 - 1.700
R-factor	0.17014
Rwork	0.168
R-free	0.20549
Structure solution method	MOLECULAR REPLACEMENT
Starting model (for MR)	1uyl
RMSD bond length	0.015
RMSD bond angle	2.181
Data reduction software	XDS
Data scaling software	SCALA
Phasing software	MOLREP
Refinement software	REFMAC (5.8.0222)

Data quality characteristics

	Overall	Outer shell
Low resolution limit [Å]	66.500	1.790
High resolution limit [Å]	1.700	1.700
Rmerge	0.043	0.458
Rmeas	0.046	0.492
Rpim	0.017	0.179
Number of reflections	32409	4654
<I/σ(I)>	21.6	4
Completeness [%]	100.0	100
Redundancy	7.4	7.5
CC(1/2)	0.999	0.931

Crystallization Conditions

crystal ID	method	pH	temperature	details
1	VAPOR DIFFUSION, SITTING DROP	6.5	291	25 % wt/vol PEG 2000, 200 mM MgCl2 and 100 mM sodium cacodylate, pH 6.5