1B18

PH AFFECTS GLU B13 SWITCHING AND SULFATE BINDING IN CUBIC INSULIN CRYSTALS (PH 5.53 COORDINATES)

Experimental procedure

Experimental method	SINGLE WAVELENGTH
Temperature [K]	287
Spacegroup name	I 21 3
Unit cell lengths	78.717, 78.717, 78.717
Unit cell angles	90.00, 90.00, 90.00

Refinement procedure

Resolution	10.000 - 1.800
Rwork	0.183
R-free	0.21730 *
Structure solution method	OTHER
RMSD bond length	0.006
RMSD bond angle	21.890 *
Data reduction software	DENZO
Data scaling software	SCALEPACK
Phasing software	X-PLOR
Refinement software	X-PLOR (3.843)

Data quality characteristics

	Overall
Low resolution limit [Å]	55.000
High resolution limit [Å]	1.800 *
Rmerge	0.094 *
Number of reflections	9061
Completeness [%]	99.7 *
Redundancy	3.79

Crystallization Conditions

crystal ID	method	pH	temperature	details
1	Microdialysis *	9.2 *		pH 5.53

Crystallization Reagents

ID	crystal ID	solution ID	reagent name	concentration	details
1	1	2	1M SODIUM SULFATE SOLUTION AT PH 5.53	2	3

Crystallization Reagents in Literatures

ID	crystal ID	solution	reagent name	concentration (unit)	details
1	1	1	sodium phosphate	0.05 (M)
2	1	1	sodium EDTA	0.001 (M)	pH11
3	1	1	protein	18 (mg/ml)
4	1	2	sodium phosphate	0.15 (M)
5	1	2	sodium EDTA	0.001 (M)	pH9.2