3CY2

Crystal structure of human proto-oncogene serine threonine kinase (PIM1) in complex with a consensus peptide and a beta carboline ligand II

Experimental procedure

Experimental method	SINGLE WAVELENGTH
Source type	ROTATING ANODE
Source details	RIGAKU FR-E+ SUPERBRIGHT
Temperature [K]	100
Detector technology	IMAGE PLATE
Collection date	2007-09-14
Detector	RIGAKU RAXIS IV
Wavelength(s)	1.54178
Spacegroup name	P 65
Unit cell lengths	98.668, 98.668, 81.129
Unit cell angles	90.00, 90.00, 120.00

Refinement procedure

Resolution	32.297 - 2.010
R-factor	0.169
Rwork	0.167
R-free	0.19900
Structure solution method	MOLECULAR REPLACEMENT
Starting model (for MR)	2c3i
RMSD bond length	0.015
RMSD bond angle	1.371
Data reduction software	MOSFLM
Data scaling software	SCALA (3.2.25)
Phasing software	PHASER
Refinement software	REFMAC

Data quality characteristics

	Overall	Inner shell	Outer shell
Low resolution limit [Å]	32.297	32.297	2.120
High resolution limit [Å]	2.010	6.360	2.010
Rmerge	0.075	0.033	0.704
Total number of observations		4794	22252
Number of reflections	29963
<I/σ(I)>	8.4	16.6	1.1
Completeness [%]	100.0	99.3	100
Redundancy	5.2	4.9	5.1

Crystallization Conditions

crystal ID	method	pH	temperature	details
1	VAPOR DIFFUSION, SITTING DROP	7	277	0.56 M Na succinate pH 7.0, VAPOR DIFFUSION, SITTING DROP, temperature 277K