6VRU

PIM-inhibitor complex 1

Experimental procedure

Experimental method	SINGLE WAVELENGTH
Source type	SYNCHROTRON
Source details	APS BEAMLINE 21-ID-F
Synchrotron site	APS
Beamline	21-ID-F
Temperature [K]	100
Detector technology	CCD
Collection date	2009-02-02
Detector	MARMOSAIC 225 mm CCD
Wavelength(s)	0.979
Spacegroup name	P 65
Unit cell lengths	98.555, 98.555, 81.009
Unit cell angles	90.00, 90.00, 120.00

Refinement procedure

Resolution	50.000 - 2.070
Rwork	0.179
R-free	0.20240
Structure solution method	MOLECULAR REPLACEMENT
Starting model (for MR)	1xr1
RMSD bond length	0.005
RMSD bond angle	0.852
Data reduction software	DENZO
Data scaling software	SCALEPACK
Phasing software	CNX
Refinement software	CNS

Data quality characteristics

	Overall	Outer shell
Low resolution limit [Å]	50.000	2.170
High resolution limit [Å]	2.070	2.070
Rmerge	0.110	0.950
Number of reflections	26194	1018
<I/σ(I)>	4.09
Completeness [%]	95.8
Redundancy	11.5

Crystallization Conditions

crystal ID	method	pH	temperature	details
1	VAPOR DIFFUSION	6.5	277	0.1 M imidazole, 0.7 M Na Acetate, pH6.5