3QQU

Cocrystal structure of unphosphorylated igf with pyrimidine 8

Experimental procedure

Experimental method	SINGLE WAVELENGTH
Source type	SYNCHROTRON
Source details	ALS BEAMLINE 5.0.2
Synchrotron site	ALS
Beamline	5.0.2
Temperature [K]	100
Detector technology	CCD
Collection date	2002-10-23
Detector	ADSC QUANTUM 210
Wavelength(s)	1.0000
Spacegroup name	P 1
Unit cell lengths	63.792, 90.931, 96.966
Unit cell angles	65.37, 89.42, 84.67

Refinement procedure

Resolution	30.000 - 2.900
R-factor	0.273
Rwork	0.273
R-free	0.30200
Structure solution method	MOLECULAR REPLACEMENT
Data reduction software	DENZO
Data scaling software	SCALEPACK
Phasing software	AMoRE
Refinement software	CNS

Data quality characteristics

	Overall	Outer shell
Low resolution limit [Å]	30.000	2.950
High resolution limit [Å]	2.900	2.900
Rmerge	0.070	0.431
Number of reflections	40618
<I/σ(I)>	9.9
Completeness [%]	94.6	94

Crystallization Conditions

crystal ID	method	pH	temperature	details
1	VAPOR DIFFUSION, HANGING DROP	7.5	277	0.2M Mg Acetate, 15%-17.5% PEG8K, VAPOR DIFFUSION, HANGING DROP, temperature 277K