2AME

TYPE III ANTIFREEZE PROTEIN ISOFORM HPLC 12 N14Q

Experimental procedure

Experimental method	SINGLE WAVELENGTH
Source type	ROTATING ANODE
Source details	RIGAKU RU200
Temperature [K]	298
Detector technology	IMAGE PLATE
Detector	MAR scanner 300 mm plate
Spacegroup name	P 21 21 21
Unit cell lengths	32.328, 38.893, 45.483
Unit cell angles	90.00, 90.00, 90.00

Refinement procedure

Resolution	8.000 - 2.000
R-factor	0.185 *
Rwork	0.185
R-free	0.26100
Structure solution method	OTHER
Starting model (for MR)	1msi
RMSD bond length	0.014
RMSD bond angle	28.100 *
Data reduction software	DENZO
Data scaling software	SCALEPACK
Phasing software	X-PLOR
Refinement software	X-PLOR (3.0)

Data quality characteristics

	Overall	Outer shell
Low resolution limit [Å]	25.000	1.310
High resolution limit [Å]	2.000	1.250
Rmerge	0.070 *	0.557
Total number of observations	22376 *
Number of reflections	5329 *
<I/σ(I)>	13.5	1.64
Completeness [%]	91.0 *	98.1
Redundancy	3	2.8

Crystallization Conditions

crystal ID	method	pH	temperature	details
1	Vapor diffusion, hanging drop *	5.5	20 *	Jia, Z., (1995) Protein Sci., 4, 1236. *

Crystallization Reagents in Literatures

ID	crystal ID	solution	reagent name	concentration (unit)	details
1	1	drop	protein	3-3.5 (mg/ml)
2	1	drop	ammonium sulfate	25-27.5 (%sat)
3	1	drop	sodium acetate	0.05 (M)
4	1	reservoir	ammonium sulfate	50-55 (%sat)
5	1	reservoir	sodium acetate	0.1 (M)