6L15

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	97.477, 97.477, 81.697
Unit cell angles	90.00, 90.00, 120.00

Refinement procedure

Resolution	84.420 - 2.600
R-factor	0.1839
Rwork	0.182
R-free	0.22100
Structure solution method	MOLECULAR REPLACEMENT
RMSD bond length	0.012
RMSD bond angle	1.623
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]	84.420	2.668
High resolution limit [Å]	2.600	2.600
Rmerge	0.223	1.480
Number of reflections	13466	725
<I/σ(I)>	18.55
Completeness [%]	100.0
Redundancy	10.6
CC(1/2)	0.998	0.774

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