4BZO

Crystal structure of PIM1 in complex with a Pyrrolo-Pyrazinone inhibitor

Experimental procedure

Experimental method	SINGLE WAVELENGTH
Source type	SYNCHROTRON
Source details	ESRF BEAMLINE ID23-2
Synchrotron site	ESRF
Beamline	ID23-2
Temperature [K]	100
Detector technology	CCD
Collection date	2009-02-12
Detector	MARMOSAIC 225 mm CCD
Spacegroup name	P 65
Unit cell lengths	97.932, 97.932, 81.431
Unit cell angles	90.00, 90.00, 120.00

Refinement procedure

Resolution	30.000 - 2.100
R-factor	0.18315
Rwork	0.181
R-free	0.21643
Structure solution method	OTHER
Starting model (for MR)	NONE
RMSD bond length	0.010
RMSD bond angle	1.334
Data reduction software	DENZO
Data scaling software	SCALEPACK
Refinement software	REFMAC (5.6.0117)

Data quality characteristics

	Overall	Outer shell
Low resolution limit [Å]	30.000	2.180
High resolution limit [Å]	2.100	2.100
Rmerge	0.090	0.550
Number of reflections	25928
<I/σ(I)>	13	3.2
Completeness [%]	99.6	99.5
Redundancy	5.6

Crystallization Conditions

crystal ID	method	pH	temperature	details
1				20% PEG 3350K, 0.3 M NACL, 0.1 M TRISHCL PH 7.6