1OS3

Dehydrated T6 human insulin at 100 K

Experimental procedure

Experimental method	SINGLE WAVELENGTH
Source type	ROTATING ANODE
Source details	RIGAKU
Temperature [K]	100
Detector technology	IMAGE PLATE
Collection date	2002-06-26
Detector	RIGAKU RAXIS IV
Wavelength(s)	1.5418
Spacegroup name	H 3
Unit cell lengths	81.510, 81.510, 33.760
Unit cell angles	90.00, 90.00, 120.00

Refinement procedure

Resolution	16.420 - 1.950
Rwork	0.216
R-free	0.25300
Structure solution method	MOLECULAR REPLACEMENT
Starting model (for MR)	4ins
RMSD bond length	0.006
RMSD bond angle	20.200 *
Data reduction software	d*TREK
Data scaling software	d*TREK
Phasing software	CNS
Refinement software	CNS

Data quality characteristics

	Overall	Outer shell
Low resolution limit [Å]	16.420	2.020
High resolution limit [Å]	1.950	1.950
Rmerge	0.045	0.175
Total number of observations	22524 *
Number of reflections	6070
<I/σ(I)>	15.9	3.67
Completeness [%]	99.6 *	100
Redundancy	3.7

Crystallization Conditions

crystal ID	method	pH	temperature	details
1	Batch method *	6.3	295	hydrochloric acid, zinc acetate, sodium citrate, acetone, pH 6.3, SLOW COOLING, temperature 295.0K

Crystallization Reagents in Literatures

ID	crystal ID	solution	reagent name	concentration (unit)	details
1	1	1	insulin	5 (mg/ml)
2	1	1		0.01 (M)
3	1	1	zinc acetate	0.007 (M)
4	1	1	sodium citrate	0.05 (M)
5	1	1	acetone	17 (%)	pH6.3