6H54

CRYSTAL STRUCTURE OF BOVINE HSC70(AA1-554)E213A/D214A IN COMPLEX WITH INHIBITOR VER155008

Experimental procedure

Experimental method	SINGLE WAVELENGTH
Source type	SYNCHROTRON
Source details	ESRF BEAMLINE ID30B
Synchrotron site	ESRF
Beamline	ID30B
Temperature [K]	100
Detector technology	PIXEL
Collection date	2016-11-25
Detector	DECTRIS PILATUS3 S 6M
Wavelength(s)	0.9763
Spacegroup name	P 1 21 1
Unit cell lengths	66.190, 49.340, 86.960
Unit cell angles	90.00, 99.80, 90.00

Refinement procedure

Resolution	56.765 - 2.020
R-factor	0.2224
Rwork	0.221
R-free	0.25840
Structure solution method	MOLECULAR REPLACEMENT
Starting model (for MR)	4fl9
RMSD bond length	0.002
RMSD bond angle	0.479
Data reduction software	XDS
Data scaling software	XDS
Phasing software	PHASER
Refinement software	PHENIX (1.15.2_3472)

Data quality characteristics

	Overall	Outer shell
Low resolution limit [Å]	56.765	2.070
High resolution limit [Å]	2.020	2.020
Rmeas	0.093
Number of reflections	34413
<I/σ(I)>	9.49
Completeness [%]	94.1	95.4
Redundancy	3.09
CC(1/2)	0.997

Crystallization Conditions

crystal ID	method	pH	temperature	details
1	BATCH MODE		291	PEG 4000, TMAO, Glycerol