6L12

Crystal structure of Ser/Thr kinase Pim1 in complex with 10-DEBC derivatives

Experimental procedure

Experimental method	SINGLE WAVELENGTH
Source type	ROTATING ANODE
Source details	RIGAKU MICROMAX-007 HF
Temperature [K]	291
Detector technology	IMAGE PLATE
Collection date	2018-02-20
Detector	RIGAKU RAXIS IV++
Wavelength(s)	0.97918
Spacegroup name	P 65
Unit cell lengths	98.639, 98.639, 80.612
Unit cell angles	90.00, 90.00, 120.00

Refinement procedure

Resolution	85.420 - 1.870
R-factor	0.1974
Rwork	0.197
R-free	0.20980
Structure solution method	MOLECULAR REPLACEMENT
RMSD bond length	0.010
RMSD bond angle	1.428
Data reduction software	HKL-2000
Data scaling software	SCALEPACK
Phasing software	PHASES
Refinement software	REFMAC (5.8.0103)

Data quality characteristics

	Overall	Outer shell
Low resolution limit [Å]	85.420	1.919
High resolution limit [Å]	1.870	1.870
Rmerge	0.061	1.136
Number of reflections	36842	2525
<I/σ(I)>	45.88
Completeness [%]	99.9
Redundancy	11.3
CC(1/2)	0.998	0.784

Crystallization Conditions

crystal ID	method	pH	temperature	details
1	VAPOR DIFFUSION, HANGING DROP	8	291	0.4M potassium sodium tartrate tetrahydrate, pH 8.0, VAPOR DIFFUSION, HANGING DROP, temperature 291K