5BN9

Crystal structure of ADP bound human Hsp70 NBD mutant R272K.

Experimental procedure

Experimental method	SINGLE WAVELENGTH
Source type	SYNCHROTRON
Source details	BESSY BEAMLINE 14.1
Synchrotron site	BESSY
Beamline	14.1
Temperature [K]	100
Detector technology	PIXEL
Collection date	2013-10-13
Detector	DECTRIS PILATUS 6M
Wavelength(s)	0.9184
Spacegroup name	P 21 21 21
Unit cell lengths	45.933, 63.210, 143.872
Unit cell angles	90.00, 90.00, 90.00

Refinement procedure

Resolution	47.480 - 1.689
R-factor	0.18
Rwork	0.179
R-free	0.20100
Structure solution method	MOLECULAR REPLACEMENT
Starting model (for MR)	3atv
RMSD bond length	0.006
RMSD bond angle	1.066
Data reduction software	XDS
Data scaling software	Aimless
Phasing software	MOLREP (11.0)
Refinement software	PHENIX (1.9_1692)

Data quality characteristics

	Overall	Outer shell
Low resolution limit [Å]	47.480	1.750
High resolution limit [Å]	1.689	1.689
Rmerge	0.056	0.590
Number of reflections	46875
<I/σ(I)>	16.89	1.94
Completeness [%]	97.8	89
Redundancy	3.6	2.8

Crystallization Conditions

crystal ID	method	pH	temperature	details
1	VAPOR DIFFUSION, HANGING DROP	7.5	293	25 % PEG-3350 W/V, 0.1 M HEPES