1D2N

D2 DOMAIN OF N-ETHYLMALEIMIDE-SENSITIVE FUSION PROTEIN

Experimental procedure

Source type	ROTATING ANODE
Source details	RIGAKU RUH2R
Temperature [K]	100
Detector technology	IMAGE PLATE
Collection date	1997-08
Detector	RIGAKU
Spacegroup name	P 6
Unit cell lengths	116.330, 116.330, 40.240
Unit cell angles	90.00, 90.00, 120.00

Refinement procedure

Resolution	50.000 - 1.750
R-factor	0.199
Rwork	0.199
R-free	0.22300
Structure solution method	SIRAS
RMSD bond length	0.005
RMSD bond angle	20.000 *
Data reduction software	DENZO
Data scaling software	SCALEPACK
Phasing software	MLPHARE
Refinement software	CNS (0.3)

Data quality characteristics

	Overall	Outer shell
Low resolution limit [Å]	50.000	1.830
High resolution limit [Å]	1.750	1.750
Rmerge	0.052	0.260
Number of reflections	31212	3600 *
Completeness [%]	98.4	91.6
Redundancy	4.2	1.8

Crystallization Conditions

crystal ID	method	pH	temperature	details
1	Vapor diffusion, hanging drop *	8	20 *	3-8% PEG 3350, 300 MM KCL, 100 MM TRIS-HCL, PH 8.0, 5 MM MGCL2, 5 MM GDCL3, 2 MM DTT, 2 MM AMP-PNP, temperature 293K

Crystallization Reagents in Literatures

ID	crystal ID	solution	reagent name	concentration (unit)	details
1	1	drop	protein	20 (mg/ml)
2	1	reservoir	PEG3350	3-8 (%)
3	1	reservoir	Tris-HCl	100 (mM)	pH8.0