5KJX

Co-crystal Structure of PKA RI alpha CNB-B domain with cAMP

Experimental procedure

Experimental method	SINGLE WAVELENGTH
Source type	ROTATING ANODE
Source details	RIGAKU FR-E+ SUPERBRIGHT
Temperature [K]	80
Detector technology	IMAGE PLATE
Collection date	2013-02-22
Detector	RIGAKU RAXIS IV
Wavelength(s)	1.0
Spacegroup name	P 21 21 21
Unit cell lengths	37.897, 52.207, 74.817
Unit cell angles	90.00, 90.00, 90.00

Refinement procedure

Resolution	24.646 - 1.900
R-factor	0.1808
Rwork	0.178
R-free	0.22630
Structure solution method	MOLECULAR REPLACEMENT
Starting model (for MR)	1rgs
RMSD bond length	0.007
RMSD bond angle	1.123
Data reduction software	HKL-2000
Data scaling software	HKL-2000
Phasing software	PHASER
Refinement software	PHENIX (1.7.1_743)

Data quality characteristics

	Overall	Outer shell
Low resolution limit [Å]	24.650	1.930
High resolution limit [Å]	1.900	1.900
Rmerge	0.066	0.208
Number of reflections	11873
<I/σ(I)>	50.71	4.5
Completeness [%]	97.1	74.4
Redundancy	9.3	5.4

Crystallization Conditions

crystal ID	method	pH	temperature	details
1	VAPOR DIFFUSION, HANGING DROP	6.5	277.15	20% w/v PEG 8000, 100mM imidazole/hydrochloric acid pH 6.5, 3% v/v MPD