1HTV

CRYSTAL STRUCTURE OF DESTRIPEPTIDE (B28-B30) INSULIN

Experimental procedure

Experimental method	SINGLE WAVELENGTH
Source type	ROTATING ANODE
Source details	RIGAKU RU200
Temperature [K]	298
Detector technology	IMAGE PLATE
Collection date	1999-01-25
Detector	MARRESEARCH
Spacegroup name	P 21 21 21
Unit cell lengths	49.810, 51.550, 100.600
Unit cell angles	90.00, 90.00, 90.00

Refinement procedure

Resolution	10.000 - 1.900
R-factor	0.196
Rwork	0.196
R-free	0.24000
Structure solution method	MOLECULAR REPLACEMENT
Starting model (for MR)	crystal structure of 2ZN Insulin
RMSD bond length	0.006
RMSD bond angle	1.200
Data reduction software	DENZO
Data scaling software	SCALEPACK
Phasing software	AMoRE
Refinement software	X-PLOR (3.851)

Data quality characteristics

	Overall	Outer shell
Low resolution limit [Å]	20.000	2.000
High resolution limit [Å]	1.900	1.900
Rmerge	0.055	0.189
Total number of observations	481068 *
Number of reflections	20516 *
<I/σ(I)>	14.7
Completeness [%]	97.5 *	91.3
Redundancy	18	4

Crystallization Conditions

crystal ID	method	pH	temperature	details
1	VAPOR DIFFUSION, HANGING DROP	6.8	298	sodium citrate, dimethylformamide, zinc acetate, pH 6.8, VAPOR DIFFUSION, HANGING DROP, temperature 298.0K

Crystallization Reagents in Literatures

ID	crystal ID	solution	reagent name	concentration (unit)	details
1	1	drop	protein	8 (mg/ml)
2	1	drop		0.02 (M)
3	1	reservoir	trisodium citrate	0.1 (M)
4	1	reservoir	DMF	15 (%(v/v))
5	1	reservoir	zinc acetate	0.13 (%(w/v))
6	1	reservoir		1 (M)