2OBJ

Crystal structure of human PIM-1 Kinase in complex with inhibitor

Experimental procedure

Experimental method	SINGLE WAVELENGTH
Source type	ROTATING ANODE
Source details	RIGAKU RU300
Temperature [K]	100
Detector technology	IMAGE PLATE
Collection date	2005-12-15
Detector	RIGAKU RAXIS IV
Spacegroup name	P 65
Unit cell lengths	97.264, 97.264, 80.827
Unit cell angles	90.00, 90.00, 120.00

Refinement procedure

Resolution	500.000 - 2.500
Rwork	0.205
R-free	0.24600
Structure solution method	MOLECULAR REPLACEMENT
Starting model (for MR)	1xqz
RMSD bond length	0.007
RMSD bond angle	1.204
Data reduction software	DENZO
Data scaling software	SCALEPACK
Phasing software	CNS
Refinement software	CNS

Data quality characteristics

	Overall
Low resolution limit [Å]	500.000
High resolution limit [Å]	2.400
Number of reflections	16917
<I/σ(I)>	12.8
Completeness [%]	98.6
Redundancy	8.1

Crystallization Conditions

crystal ID	method	pH	temperature	details
1	VAPOR DIFFUSION, SITTING DROP	5	296	1M ammonium phosphate (dibasic), 300mM NaCl, 100mM citrate buffer, pH 5.0, VAPOR DIFFUSION, SITTING DROP, temperature 296K