6BYS

Structures of the PKA RI alpha holoenzyme with the FLHCC driver J-PKAc alpha or native PRKAc alpha

Experimental procedure

Experimental method	SINGLE WAVELENGTH
Source type	SYNCHROTRON
Source details	APS BEAMLINE 22-ID
Synchrotron site	APS
Beamline	22-ID
Temperature [K]	100
Detector technology	CCD
Collection date	2017-10-06
Detector	RAYONIX MX300-HS
Wavelength(s)	1.000
Spacegroup name	P 21 21 21
Unit cell lengths	140.495, 186.161, 186.668
Unit cell angles	90.00, 90.00, 90.00

Refinement procedure

Resolution	45.158 - 4.750
R-factor	0.2156
Rwork	0.212
R-free	0.25540
Structure solution method	MOLECULAR REPLACEMENT
Starting model (for MR)	6byr
RMSD bond length	0.014
RMSD bond angle	1.570
Data reduction software	HKL-2000
Data scaling software	HKL-2000
Phasing software	PHASER
Refinement software	PHENIX ((1.13_2998))

Data quality characteristics

	Overall	Outer shell
Low resolution limit [Å]	50.000	4.920
High resolution limit [Å]	4.750	4.750
Number of reflections	24440	1975
<I/σ(I)>	16.3	2.7
Completeness [%]	97.2	80.5
Redundancy	6.7	4.6

Crystallization Conditions

crystal ID	method	pH	temperature	details
1	VAPOR DIFFUSION, HANGING DROP		293	100 mM HEPES sodium-MOPS (acid) pH 7.5, 90 mM NPS (30 mM sodium nitrate, 30 mM sodium phosphate dibasic, 30 mM ammonium sulfate), 40-42% Precipitant Mix 2 (40% ethylene glycol; 20% PEG 8000), 3% D-(+)-Glucose monohydrate