4WB7

Crystal structure of a chimeric fusion of human DnaJ (Hsp40) and cAMP-dependent protein kinase A (catalytic alpha subunit)

Experimental procedure

Experimental method	SINGLE WAVELENGTH
Source type	SYNCHROTRON
Source details	NSLS BEAMLINE X4C
Synchrotron site	NSLS
Beamline	X4C
Temperature [K]	100
Detector technology	CCD
Collection date	2014-04-25
Detector	MAR CCD 165 mm
Wavelength(s)	0.9795
Spacegroup name	P 21 21 21
Unit cell lengths	59.233, 121.155, 173.672
Unit cell angles	90.00, 90.00, 90.00

Refinement procedure

Resolution	41.146 - 1.900
R-factor	0.1518
Rwork	0.150
R-free	0.18790
Structure solution method	MOLECULAR REPLACEMENT
Starting model (for MR)	4wb8
RMSD bond length	0.012
RMSD bond angle	1.228
Data reduction software	HKL-2000
Data scaling software	SCALEPACK
Refinement software	PHENIX ((phenix.refine: 1.8.4_1496))

Data quality characteristics

	Overall	Inner shell	Outer shell
Low resolution limit [Å]	50.000	50.000	1.930
High resolution limit [Å]	1.900	5.160	1.900
Rmerge	0.064	0.040	0.562
Total number of observations	505754
Number of reflections	97666
<I/σ(I)>	9.7
Completeness [%]	98.2	99.8	86.5
Redundancy	5.2	5.5	3.3

Crystallization Conditions

crystal ID	method	pH	temperature	details
1	VAPOR DIFFUSION, SITTING DROP	6.5	295	70mM sodium cacodylate pH 6.5, 150mM magnesium acetate, 20mM zinc chloride, 5% glycerol, 11.5% PEG 8000