1QIY

HUMAN INSULIN HEXAMERS WITH CHAIN B HIS MUTATED TO TYR COMPLEXED WITH PHENOL

Experimental procedure

Experimental method	SINGLE WAVELENGTH
Source type	ROTATING ANODE
Source details	RIGAKU RUH2R
Temperature [K]	289
Detector technology	AREA DETECTOR
Collection date	1993-01-15
Detector	MULTIWIRE SIEMENS
Spacegroup name	P 1 21 1
Unit cell lengths	61.100, 62.080, 48.350
Unit cell angles	90.00, 109.87, 90.00

Refinement procedure

Resolution	36.800 - 2.300
Rwork	0.186
Structure solution method	MOLECULAR REPLACEMENT
Starting model (for MR)	R6 (NATIVE) INSULIN
RMSD bond length	0.011
RMSD bond angle	0.037
Data reduction software	XDS
Data scaling software	SCALA
Refinement software	PROLSQ

Data quality characteristics

	Overall	Outer shell
Low resolution limit [Å]	36.800	2.300
High resolution limit [Å]	2.260	2.200
Rmerge	0.046	0.107
Number of reflections	13832
<I/σ(I)>	10	5
Completeness [%]	92.0	95.5
Redundancy	1.8	1.6

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 0.1 ML 0.12M ZINC ACETATE, 1.5 ML 0.2 M TRI-SODIUM CITRATE, 0.4 ML 2.5% (AQ.) PHENOL AND 120 MG NACL. PH ADJUSTED TO 6.5-7.8 .

Crystallization Reagents in Literatures

ID	crystal ID	solution	reagent name	concentration (unit)	details
1	1	1	insulin
2	1	1		0.02 (M)	2 ml
3	1	1	zinc acetate	0.12 (M)	0.1 ml
4	1	1	trisodium citrate	0.2 (M)	1.5 ml
5	1	1	phenol	2.5 (%)	0.4 ml