3KEU

Crystal Structure of Human PL Kinase with bound PLP and ATP

Experimental procedure

Experimental method	SINGLE WAVELENGTH
Source type	ROTATING ANODE
Source details	RIGAKU MICROMAX-007
Temperature [K]	100
Detector technology	IMAGE PLATE
Collection date	2009-08-28
Detector	RIGAKU RAXIS
Wavelength(s)	1.54
Spacegroup name	I 2 2 2
Unit cell lengths	91.202, 114.585, 169.414
Unit cell angles	90.00, 90.00, 90.00

Refinement procedure

Resolution	26.980 - 2.100
Rwork	0.209
R-free	0.25600
Structure solution method	isomorphous refinement
RMSD bond length	0.010
RMSD bond angle	1.600
Data reduction software	d*TREK
Data scaling software	d*TREK (9.2SSI)
Refinement software	CNS (1.0)

Data quality characteristics

	Overall	Inner shell	Outer shell
Low resolution limit [Å]	26.980	26.980	2.070
High resolution limit [Å]	2.000	4.300	2.000
Rmerge	0.049	0.019	0.300
Total number of observations		22160	18558
Number of reflections	59477
<I/σ(I)>	13.3	44	3.4
Completeness [%]	98.9	96.5	99
Redundancy	3.1	3.37	2.81

Crystallization Conditions

crystal ID	method	pH	temperature	details
1	hanging drop	8	298	Saturated MgATP and PLP, 50-60% MPD precipitant, pH 8.0, hanging drop, temperature 298K