5TEL

Pim-1 kinase in complex with a 7-azaindole

Experimental procedure

Experimental method	SINGLE WAVELENGTH
Source type	ROTATING ANODE
Source details	RIGAKU RUH3R
Temperature [K]	100
Detector technology	IMAGE PLATE
Collection date	2006-06-14
Detector	RIGAKU RAXIS IV++
Wavelength(s)	1.5418
Spacegroup name	P 65
Unit cell lengths	97.474, 97.474, 80.788
Unit cell angles	90.00, 90.00, 120.00

Refinement procedure

Resolution	31.101 - 2.214
R-factor	0.1816
Rwork	0.179
R-free	0.20710
Structure solution method	MOLECULAR REPLACEMENT
Starting model (for MR)	1yxt
RMSD bond length	0.003
RMSD bond angle	0.698
Phasing software	PHASER (2.6.0)
Refinement software	PHENIX ((1.10_2155:))

Data quality characteristics

	Overall
Low resolution limit [Å]	31.101
High resolution limit [Å]	2.214
Number of reflections	20718
<I/σ(I)>	43
Completeness [%]	95.0
Redundancy	13.5

Crystallization Conditions

crystal ID	method	pH	temperature	details
1	VAPOR DIFFUSION		277	imidazole 0,1M - NaAcetate 0,7M - pH6,5