2O3P

Crystal structure of Pim1 with Quercetin

Experimental procedure

Experimental method	SINGLE WAVELENGTH
Source type	SYNCHROTRON
Source details	ALS BEAMLINE 8.3.1
Synchrotron site	ALS
Beamline	8.3.1
Temperature [K]	100
Detector technology	CCD
Detector	ADSC QUANTUM 210
Wavelength(s)	1.10000
Spacegroup name	P 65
Unit cell lengths	97.761, 97.761, 81.185
Unit cell angles	90.00, 90.00, 120.00

Refinement procedure

Resolution	84.510 - 2.240
R-factor	0.18866
Rwork	0.187
R-free	0.22019
Structure solution method	MOLECULAR REPLACEMENT
RMSD bond length	0.011
RMSD bond angle	1.365
Data reduction software	MOSFLM
Data scaling software	CCP4 ((SCALA))
Phasing software	CCP4
Refinement software	REFMAC (5.1.25)

Data quality characteristics

	Overall	Outer shell
Low resolution limit [Å]	84.510	2.298
High resolution limit [Å]	2.240	2.240
Rmerge	0.080	0.534
Number of reflections	22140
<I/σ(I)>	8.5	1.4
Completeness [%]	99.2	96.8
Redundancy	5.3

Crystallization Conditions

crystal ID	method	pH	temperature	details
1	VAPOR DIFFUSION, SITTING DROP	6.5	277	NA ACETATE, IMIDAZOLE, pH 6.5, VAPOR DIFFUSION, SITTING DROP, temperature 277K