1JF2

Crystal Structure of W92F obelin mutant from Obelia longissima at 1.72 Angstrom resolution

Experimental procedure

Experimental method	SINGLE WAVELENGTH
Source type	ROTATING ANODE
Source details	RIGAKU RU200
Temperature [K]	100
Detector technology	IMAGE PLATE
Collection date	2001-04-08
Detector	RIGAKU RAXIS IV
Wavelength(s)	1.5418
Spacegroup name	P 41 21 2
Unit cell lengths	53.449, 53.449, 144.485
Unit cell angles	90.00, 90.00, 90.00

Refinement procedure

Resolution	26.280 - 1.720
R-factor	0.232
Rwork	0.232
R-free	0.27400
Structure solution method	MOLECULAR REPLACEMENT
Starting model (for MR)	1el4
RMSD bond length	0.005
RMSD bond angle	1.100
Data reduction software	DENZO
Data scaling software	SCALEPACK
Phasing software	CNS
Refinement software	CNS

Data quality characteristics

	Overall	Outer shell
Low resolution limit [Å]	30.000	1.760
High resolution limit [Å]	1.700	1.700
Rmerge	0.037 *	0.080 *
Number of reflections	21633
<I/σ(I)>	18.08
Completeness [%]	99.9 *	87.7
Redundancy	5.8 *	10.2

Crystallization Conditions

crystal ID	method	pH	temperature	details
1	VAPOR DIFFUSION, HANGING DROP	6	4 *	Deng, L., (2001) FEBS Lett., 506, 281. *

Crystallization Reagents in Literatures

ID	crystal ID	solution	reagent name	concentration (unit)	details
1	1	drop	protein	8-10 (mg/ml)
2	1	reservoir	PEG8000	18 (%)
3	1	reservoir	potassium phosphate	50 (mM)
4	1	drop	hexamine cobalt chloride