1Q4V

CRYSTAL STRUCTURE OF ALLO-ILEA2-INSULIN, AN INACTIVE CHIRAL ANALOGUE: IMPLICATIONS FOR THE MECHANISM OF RECEPTOR

Replaces:  1PC1Replaces:  1LW8

Experimental procedure

Experimental method	SINGLE WAVELENGTH
Source type	ROTATING ANODE
Source details	RIGAKU RU200
Temperature [K]	298
Detector technology	IMAGE PLATE
Collection date	2001-11-12
Detector	RIGAKU RAXIS IV
Wavelength(s)	1.5418
Spacegroup name	H 3
Unit cell lengths	80.487, 80.487, 37.939
Unit cell angles	90.00, 90.00, 120.00

Refinement procedure

Resolution	23.200 * - 2.000
Rwork	0.219
R-free	0.26400
Structure solution method	MOLECULAR REPLACEMENT
Starting model (for MR)	1trz
RMSD bond length	0.010
RMSD bond angle	2.100
Data reduction software	DENZO
Data scaling software	SCALEPACK
Phasing software	CNS
Refinement software	CNS

Data quality characteristics

	Overall	Outer shell
Low resolution limit [Å]	23.200 *	2.070
High resolution limit [Å]	2.000	2.000
Rmerge	0.057	0.301
Number of reflections	5892 *	543 *
<I/σ(I)>	43.1	4.1
Completeness [%]	98.7	89.3
Redundancy	2.07	1.27 *

Crystallization Conditions

crystal ID	method	pH	temperature	details
1	VAPOR DIFFUSION, HANGING DROP	8 *	290	Tris, sodium citrate, acetone, phenol, pH 6.4, VAPOR DIFFUSION, HANGING DROP, temperature 290.0K

Crystallization Reagents in Literatures

ID	crystal ID	solution	reagent name	concentration (unit)	details
1	1	drop	protein	10 (mg/ml)
2	1	drop		0.02 (M)
3	1	reservoir	Tris-HCl	0.02 (M)
4	1	reservoir	sodium citrate	0.05 (M)
5	1	reservoir	acetone	5 (%)
6	1	reservoir	phenol	0.03 (%)
7	1	reservoir	zinc acetate	0.01 (%)	pH8.0