3A99

Structure of PIM-1 kinase crystallized in the presence of P27KIP1 Carboxy-terminal peptide

Experimental procedure

Experimental method	SINGLE WAVELENGTH
Source type	SYNCHROTRON
Source details	SPRING-8 BEAMLINE BL26B2
Synchrotron site	SPring-8
Beamline	BL26B2
Temperature [K]	100
Detector technology	CCD
Collection date	2008-10-09
Detector	MARRESEARCH
Wavelength(s)	0.9700
Spacegroup name	P 65
Unit cell lengths	98.156, 98.156, 80.296
Unit cell angles	90.00, 90.00, 120.00

Refinement procedure

Resolution	32.130 - 1.600
R-factor	0.187
Rwork	0.187
R-free	0.20600
Structure solution method	MOLECULAR REPLACEMENT
Starting model (for MR)	1yxt
RMSD bond length	0.005
RMSD bond angle	1.200
Data reduction software	HKL-2000
Data scaling software	HKL-2000
Phasing software	MOLREP
Refinement software	CNS (1.1)

Data quality characteristics

	Overall	Outer shell
Low resolution limit [Å]	50.000	1.660
High resolution limit [Å]	1.600	1.600
Number of reflections	57557
<I/σ(I)>	32.3	2.76
Completeness [%]	99.3	97.6
Redundancy	6.7

Crystallization Conditions

crystal ID	method	pH	temperature	details
1	VAPOR DIFFUSION, HANGING DROP	6.5	277	1 M sodium acetate, 0.1 M imidazole buffer , pH 6.5, VAPOR DIFFUSION, HANGING DROP, temperature 277K