1QV1

Atomic resolution structure of obelin from Obelia longissima

Experimental procedure

Experimental method	SINGLE WAVELENGTH
Source type	SYNCHROTRON
Source details	ALS BEAMLINE 5.0.2
Synchrotron site	ALS
Beamline	5.0.2
Temperature [K]	100
Detector technology	CCD
Collection date	2001-08-12
Detector	ADSC QUANTUM 210
Wavelength(s)	1.0
Spacegroup name	C 1 2 1
Unit cell lengths	83.334, 54.631, 52.685
Unit cell angles	90.00, 112.29, 90.00

Refinement procedure

Resolution	20.000 * - 1.100
Rwork	0.144
R-free	0.15800 *
Structure solution method	MOLECULAR REPLACEMENT
Starting model (for MR)	1el4
RMSD bond length	0.016
RMSD bond angle	2.700 *
Phasing software	CNS
Refinement software	SHELXL-97

Data quality characteristics

	Overall	Outer shell
Low resolution limit [Å]	50.000	1.200
High resolution limit [Å]	1.100	1.100
Rmerge	0.034	0.089
Number of reflections	93673
Completeness [%]	98.2	94.9

Crystallization Conditions

crystal ID	method	pH	temperature	details
1	VAPOR DIFFUSION, HANGING DROP	7.4 *	277	Vysotski, E.S., (2001) Acta Crystallogr., D57, 1919. *

Crystallization Reagents in Literatures

ID	crystal ID	solution	reagent name	concentration (unit)	details
1	1	drop	potassium/sodium phosphate	10 (mM)
2	1	drop	EDTA	1 (mM)	pH7.4
3	1	drop	protein	8-10 (mg/ml)
4	1	reservoir	PEG8000	23 (%)
5	1	reservoir		50 (mM)	pH5.8
6	1	reservoir		0.1 (M)