4IT7

Crystal structure of Al-CPI

Experimental procedure

Experimental method	SINGLE WAVELENGTH
Source type	SYNCHROTRON
Source details	SSRF BEAMLINE BL17U
Synchrotron site	SSRF
Beamline	BL17U
Detector technology	CCD
Wavelength(s)	0.9792
Spacegroup name	P 1
Unit cell lengths	43.510, 44.499, 44.582
Unit cell angles	90.00, 89.99, 90.00

Refinement procedure

Resolution	18.010 - 2.100
R-factor	0.2035
Rwork	0.203
R-free	0.25650
Structure solution method	MOLECULAR REPLACEMENT
RMSD bond length	0.015
RMSD bond angle	1.802
Refinement software	REFMAC (5.6.0117)

Data quality characteristics

	Overall
Low resolution limit [Å]	44.580
High resolution limit [Å]	2.100
Number of reflections	19288
Completeness [%]	98.8

Crystallization Conditions

crystal ID	method	pH	temperature	details
1	VAPOR DIFFUSION	6.5	293	0.2 M sodium acetate trihydrate, 0.1 M sodium cacodylate trihydrate, 30% w/v polyethylene glycol, pH 6.5, vapor diffusion, temperature 293K
1	VAPOR DIFFUSION	6.5	293	0.2 M sodium acetate trihydrate, 0.1 M sodium cacodylate trihydrate, 30% w/v polyethylene glycol, pH 6.5, vapor diffusion, temperature 293K