1ZEG

STRUCTURE OF B28 ASP INSULIN IN COMPLEX WITH PHENOL

Experimental procedure

Source type	ROTATING ANODE
Source details	RIGAKU RUH2R
Temperature [K]	120
Detector technology	IMAGE PLATE
Detector	MARRESEARCH
Spacegroup name	H 3
Unit cell lengths	77.730, 77.730, 39.160
Unit cell angles	90.00, 90.00, 120.00

Refinement procedure

Resolution	14.700 - 1.600
Rwork	0.145
R-free	0.19200
Starting model (for MR)	B28ASP INSULIN WITH M-CRESOL DIMER
RMSD bond length	0.014
RMSD bond angle	0.032
Data reduction software	DENZO
Data scaling software	SCALEPACK
Refinement software	REFMAC

Data quality characteristics

	Overall	Outer shell
Low resolution limit [Å]	14.700	1.630
High resolution limit [Å]	1.600	1.600
Rmerge	0.023	0.038
Total number of observations	74966 *
Number of reflections	11469
Completeness [%]	98.9	97.4 *
Redundancy	6.5

Crystallization Conditions

crystal ID	method	pH	temperature	details
1	batch method	6.5	50 *	BATCH METHOD, COMPOSITION OF CRYSTALLISATION SOLUTION 3.5 MG INSULIN + 0.5 ML 0.02M HCL + 0.05 ML 0.12M ZINC ACETATE + 0.25 ML 0.2M TRI-SODIUM CITRATE + 0.2 ML 2.5% (W/V) PHENOL IN ETHANOL + 60 MG NACL, pH 6.5, batch method

Crystallization Reagents in Literatures

ID	crystal ID	solution	reagent name	concentration (unit)	details
1	1	1	insulin		3.5mg
2	1	1		0.02 (M)	0.500ml
3	1	1	zinc acetate	0.12 (M)	0.050ml
4	1	1	trisodium citrate	0.2 (M)	0.250ml
5	1	1	phenol in ethanol	2.5 (%)	0.200ml
6	1	1			60mg