6NO7

Crystal Structure of the full-length wild-type PKA RIa Holoenzyme

Experimental procedure

Experimental method	SINGLE WAVELENGTH
Source type	SYNCHROTRON
Source details	ALS BEAMLINE 8.2.2
Synchrotron site	ALS
Beamline	8.2.2
Temperature [K]	100
Detector technology	CCD
Collection date	2017-09-20
Detector	ADSC QUANTUM 315r
Wavelength(s)	1.0
Spacegroup name	P 21 21 21
Unit cell lengths	139.778, 184.811, 183.406
Unit cell angles	90.00, 90.00, 90.00

Refinement procedure

Resolution	47.632 - 3.550
R-factor	0.2591
Rwork	0.256
R-free	0.26870
Structure solution method	MOLECULAR REPLACEMENT
Starting model (for MR)	2qcs
RMSD bond length	0.005
RMSD bond angle	1.213
Data reduction software	HKL-2000
Data scaling software	SCALEPACK
Phasing software	AMoRE
Refinement software	PHENIX (1.13_2998)

Data quality characteristics

	Overall	Outer shell
Low resolution limit [Å]	50.000	3.630
High resolution limit [Å]	3.550	3.550
Rmerge	0.126	0.490
Number of reflections	58193	2567
<I/σ(I)>	7.6	1.7
Completeness [%]	87.0	80.7
Redundancy	2.7	2

Crystallization Conditions

crystal ID	method	pH	temperature	details
1	VAPOR DIFFUSION, HANGING DROP	7	296	mixing 1 ul of the protein solution (7.5 mg/ml) and 1 ul of the reservoir solution (100 mM imidazole/MES pH=7.0, 100 mM NPS, 16.8% v/v Ethylene glycol, 8.4 % w/v PEG 8000).