2QUR

Crystal Structure of F327A/K285P Mutant of cAMP-dependent Protein Kinase

Experimental procedure

Experimental method	SINGLE WAVELENGTH
Source type	ROTATING ANODE
Source details	RIGAKU RU200
Temperature [K]	200
Detector technology	IMAGE PLATE
Collection date	2006-10-10
Detector	MARRESEARCH
Wavelength(s)	1.5418
Spacegroup name	P 21 21 21
Unit cell lengths	57.560, 78.500, 100.630
Unit cell angles	90.00, 90.00, 90.00

Refinement procedure

Resolution	50.000 - 2.500
Rwork	0.212
R-free	0.26500
Structure solution method	MOLECULAR REPLACEMENT
Starting model (for MR)	1atp
RMSD bond length	0.008
RMSD bond angle	1.400
Data reduction software	DENZO
Data scaling software	SCALEPACK
Phasing software	AMoRE
Refinement software	CNS (1.0)

Data quality characteristics

	Overall	Outer shell
Low resolution limit [Å]	50.000	2.590
High resolution limit [Å]	2.500	2.500
Number of reflections	12647
<I/σ(I)>	9.56	1.8
Completeness [%]	87.0	91
Redundancy	2.6	2.3

Crystallization Conditions

crystal ID	method	pH	temperature	details
1	VAPOR DIFFUSION, HANGING DROP	7.5	277	8-12% MPD, 100 mM Tris-HCl, plus 10 mM DTT, pH 7.5, VAPOR DIFFUSION, HANGING DROP, temperature 277K