7PLK

Crystal structure bovine Hsc70(aa1-554)E213A/D214A in complex with nicotinic-acid-derivative

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	2021-05-28
Detector	DECTRIS PILATUS 6M
Wavelength(s)	0.976300
Spacegroup name	P 1 21 1
Unit cell lengths	66.078, 48.799, 86.476
Unit cell angles	90.00, 99.55, 90.00

Refinement procedure

Resolution	50.000 - 2.488
R-factor	0.229670514692
Rwork	0.223
R-free	0.28621
Structure solution method	MOLECULAR REPLACEMENT
Starting model (for MR)	4fl9
RMSD bond length	0.011
RMSD bond angle	1.238
Refinement software	PHENIX (1.12_2829)

Data quality characteristics

	Overall	Outer shell
Low resolution limit [Å]	50.000	2.577
High resolution limit [Å]	2.488	2.488
Rmerge	0.185	1.643
Rmeas	0.201
Rpim	0.077	0.678
Number of reflections	19088	1741
<I/σ(I)>	4.8	1.43
Completeness [%]	98.2
Redundancy	6.6
CC(1/2)	0.993	0.578

Crystallization Conditions

crystal ID	method	pH	temperature	details
1	MICROBATCH	7.5	291	PEG 8000, TMAO, potassium chloride, HEPES-NaOH, glycerol