5KJZ

Co-crystal structure of PKA RI alpha CNB-B mutant (G316R/A336T) with cGMP

Experimental procedure

Experimental method	SINGLE WAVELENGTH
Source type	SYNCHROTRON
Source details	ALS BEAMLINE 8.3.1
Synchrotron site	ALS
Beamline	8.3.1
Temperature [K]	80
Detector technology	CCD
Collection date	2012-10-21
Detector	ADSC QUANTUM 315r
Wavelength(s)	1
Spacegroup name	P 21 21 21
Unit cell lengths	29.461, 67.780, 77.960
Unit cell angles	90.00, 90.00, 90.00

Refinement procedure

Resolution	24.264 - 1.347
R-factor	0.1537
Rwork	0.152
R-free	0.18180
RMSD bond length	0.006
RMSD bond angle	1.098
Data reduction software	HKL-2000
Data scaling software	HKL-3000
Phasing software	PHASER
Refinement software	PHENIX ((1.10.1_2155: ???))

Data quality characteristics

	Overall	Outer shell
Low resolution limit [Å]	25.000	1.370
High resolution limit [Å]	1.347	1.350
Rmerge	0.062	0.214
Number of reflections	34711
<I/σ(I)>	22.01	6.7
Completeness [%]	98.6	83.6
Redundancy	9.1	4.6

Crystallization Conditions

crystal ID	method	pH	temperature	details
1	VAPOR DIFFUSION, HANGING DROP	6.4	277.15	0.04 M critic acid, 0.06 M Bis-Tris propane, 24% w/v PEG 1500, 20% v/v glycerol