5N3O

cAMP-dependent Protein Kinase A from Cricetulus griseus in complex with fragment like molecule 3-(1,3-oxazol-5-yl)aniline

Experimental procedure

Experimental method	SINGLE WAVELENGTH
Source type	SYNCHROTRON
Source details	BESSY BEAMLINE 14.3
Synchrotron site	BESSY
Beamline	14.3
Temperature [K]	100
Detector technology	CCD
Collection date	2016-09-18
Detector	RAYONIX MX-225
Wavelength(s)	0.895
Spacegroup name	P 21 21 21
Unit cell lengths	51.478, 72.285, 97.349
Unit cell angles	90.00, 90.00, 90.00

Refinement procedure

Resolution	36.143 - 1.320
R-factor	0.1353
Rwork	0.134
R-free	0.15800
Structure solution method	MOLECULAR REPLACEMENT
Starting model (for MR)	4wih
RMSD bond length	0.008
RMSD bond angle	1.051
Data reduction software	XDS
Data scaling software	XDS
Phasing software	PHASER
Refinement software	PHENIX ((1.10.1_2155: ???))

Data quality characteristics

	Overall	Outer shell
Low resolution limit [Å]	50.000	1.400
High resolution limit [Å]	1.320	1.320
Rmeas	0.096	0.542
Number of reflections	85946	13641
<I/σ(I)>	13.24	4.06
Completeness [%]	99.7	99.2
Redundancy	6.15	6.27
CC(1/2)	0.990	0.860

Crystallization Conditions

crystal ID	method	pH	temperature	details
1	VAPOR DIFFUSION, SITTING DROP	6.9	277	MES-BIS-TRIS Mega8-Solution DTT EDTA LiCl Methanol