1QJ0

HUMAN INSULIN HEXAMERS WITH CHAIN B HIS MUTATED TO TYR

Experimental procedure

Experimental method	SINGLE WAVELENGTH
Source type	ROTATING ANODE
Source details	RIGAKU RUH2R
Temperature [K]	289
Detector technology	IMAGE PLATE
Detector	RIGAKU IMAGE PLATE
Spacegroup name	H 3
Unit cell lengths	80.940, 80.940, 37.630
Unit cell angles	90.00, 90.00, 120.00

Refinement procedure

Resolution	25.700 - 2.400
Rwork	0.199
Structure solution method	MOLECULAR REPLACEMENT
Starting model (for MR)	T3R3 (NATIVE) INSULIN
RMSD bond length	0.021
RMSD bond angle	0.054
Data reduction software	MOSFLM
Data scaling software	SCALA
Refinement software	PROLSQ

Data quality characteristics

	Overall	Outer shell
Low resolution limit [Å]	25.700	2.100
High resolution limit [Å]	2.400	2.000
Rmerge	0.046	0.132
Number of reflections	3477
Completeness [%]	97.0	92
Redundancy	2.5	2.3

Crystallization Conditions

crystal ID	method	pH	temperature	details
1	Batch method *	6.8		CRYSTALLISATION IN BATCH: 10 MG B5 TYR INSULIN DISSOLVED IN 2 ML 0.02M HCL. TO THIS ADDED 0.05 ML 0.15M ZINC ACETATE, 1.0 ML 0.2 M TRI-SODIUM CITRATE, 1.0 ML ACETONE. PH ADJUSTED TO 6.4-7.1 .

Crystallization Reagents in Literatures

ID	crystal ID	solution	reagent name	concentration (unit)	details
1	1	1	insulin	10 (mg/ml)
2	1	1		0.02 (M)	2 ml
3	1	1	zinc acetate	0.15 (M)	0.05 ml
4	1	1	trisodium citrate	0.2 (M)	1 ml
5	1	1	acetone		1 ml