1XDA

STRUCTURE OF INSULIN

Experimental procedure

Source type	SYNCHROTRON
Source details	EMBL/DESY, HAMBURG BEAMLINE X31
Synchrotron site	EMBL/DESY, HAMBURG
Beamline	X31
Temperature [K]	120
Detector technology	IMAGE PLATE
Collection date	1996-06
Detector	MARRESEARCH
Spacegroup name	H 3
Unit cell lengths	78.752, 78.752, 79.199
Unit cell angles	90.00, 90.00, 120.00

Refinement procedure

Resolution	15.000 - 1.800
Rwork	0.174
Structure solution method	MOLECULAR REPLACEMENT
Starting model (for MR)	4-IODOPHENOL INSULIN DIMER
RMSD bond length	0.010
RMSD bond angle	0.030
Data reduction software	DENZO
Data scaling software	SCALEPACK
Phasing software	AMoRE
Refinement software	REFMAC

Data quality characteristics

	Overall	Outer shell
Low resolution limit [Å]	15.000	1.830
High resolution limit [Å]	1.800	1.800
Rmerge	0.055	0.278
Total number of observations	40024 *
Number of reflections	16624
Completeness [%]	98.0	72.7 *
Redundancy	2.4

Crystallization Conditions

crystal ID	method	pH	temperature	details
1	Vapor diffusion, hanging drop *	8.2		HANGING DROP, 0.1M TRI-SODIUM CITRATE, 6% (W/V) TRIS, 0.02% (W/V) ZINC ACETATE, PH 8.2.

Crystallization Reagents in Literatures

ID	crystal ID	solution	reagent name	concentration (unit)	details
1	1	drop	NN304 insulin	7.5 (mg/ml)
2	1	drop		0.02 (M)
3	1	reservoir	trisodium citrate	0.1 (M)
4	1	reservoir	Tris	6 (%(w/v))
5	1	reservoir	zinc acetate	0.02 (%(w/v))
6	1	reservoir	phenol solution	5 (%(w/v))
7	1	reservoir	ethanol		0.010-0.060ml