1XWS

Crystal Structure of the human PIM1 kinase domain

Experimental procedure

Experimental method	SINGLE WAVELENGTH
Source type	ROTATING ANODE
Source details	RIGAKU FR-E
Temperature [K]	100
Detector technology	IMAGE PLATE
Collection date	2004-10-21
Detector	RIGAKU RAXIS HTC
Wavelength(s)	1.5418
Spacegroup name	P 65
Unit cell lengths	99.550, 99.550, 80.060
Unit cell angles	90.00, 90.00, 120.00

Refinement procedure

Resolution	58.670 - 1.800
R-factor	0.18164
Rwork	0.180
R-free	0.21336
Structure solution method	MOLECULAR REPLACEMENT
RMSD bond length	0.018
RMSD bond angle	1.914
Data reduction software	CrystalClear ((MSC/RIGAKU))
Data scaling software	CrystalClear ((MSC/RIGAKU))
Phasing software	PHASER
Refinement software	REFMAC (5.2.0005)

Data quality characteristics

	Overall	Outer shell
Low resolution limit [Å]	86.070	1.900
High resolution limit [Å]	1.800	1.800
Rmerge	0.068	0.781
Number of reflections	41578
<I/σ(I)>	18.4	1.5
Completeness [%]	99.5	98.2
Redundancy	6.3	4.1

Crystallization Conditions

crystal ID	method	pH	temperature	details
1	VAPOR DIFFUSION, SITTING DROP	6.5	277	Na2SO4, Bis-Tris propane, PEG3350, Ethylene Glycol, DMSO, pH 6.5, VAPOR DIFFUSION, SITTING DROP, temperature 277K