5UZK

Crystal Structure of PKA bound to an pyrrolo pyridine inhibitor

Experimental procedure

Experimental method	SINGLE WAVELENGTH
Source type	ROTATING ANODE
Source details	RIGAKU RUH3R
Temperature [K]	100
Detector technology	IMAGE PLATE
Collection date	2004-04-20
Detector	RIGAKU RAXIS IV
Wavelength(s)	1.54
Spacegroup name	P 21 21 21
Unit cell lengths	73.170, 78.180, 80.260
Unit cell angles	90.00, 90.00, 90.00

Refinement procedure

Resolution	26.710 - 2.300
R-factor	0.191
Rwork	0.188
R-free	0.25300
Structure solution method	FOURIER SYNTHESIS
Starting model (for MR)	pdbid 2ERZ
RMSD bond length	0.010
RMSD bond angle	1.070
Data reduction software	XDS
Data scaling software	Aimless (0.5.27)
Refinement software	BUSTER (2.11.7)

Data quality characteristics

	Overall	Inner shell	Outer shell
Low resolution limit [Å]	26.710	26.710	2.430
High resolution limit [Å]	2.300	7.280	2.300
Rmerge	0.063	0.042	0.285
Rmeas	0.074	0.050	0.334
Rpim	0.039	0.027	0.172
Total number of observations	73980
Number of reflections	20724
<I/σ(I)>	13.9
Completeness [%]	99.0	96.5	99
Redundancy	3.6	3.2	3.6
CC(1/2)	0.996	0.997	0.968

Crystallization Conditions

crystal ID	method	pH	temperature	details
1	VAPOR DIFFUSION	7	277	2% MPD, VAPOR DIFFUSION, HANGING DROP