4N1G

Crystal Structure of Ca(2+)- discharged F88Y obelin mutant from Obelia longissima at 1.50 Angstrom resolution

Experimental procedure

Experimental method	SINGLE WAVELENGTH
Source type	SYNCHROTRON
Source details	SSRF BEAMLINE BL17U
Synchrotron site	SSRF
Beamline	BL17U
Temperature [K]	100
Detector technology	CCD
Collection date	2013-04-08
Detector	ADSC QUANTUM 315r
Wavelength(s)	0.9789
Spacegroup name	P 21 21 21
Unit cell lengths	60.920, 85.127, 90.088
Unit cell angles	90.00, 90.00, 90.00

Refinement procedure

Resolution	49.541 - 1.500
R-factor	0.1701
Rwork	0.169
R-free	0.20890
Structure solution method	MOLECULAR REPLACEMENT
Starting model (for MR)	2f8p
RMSD bond length	0.020
RMSD bond angle	1.728
Data reduction software	HKL-2000
Data scaling software	HKL-2000
Phasing software	PHASES
Refinement software	PHENIX ((phenix.refine: 1.8.2_1309))

Data quality characteristics

	Overall	Outer shell
Low resolution limit [Å]	50.000	1.550
High resolution limit [Å]	1.500	1.500
Number of reflections	58909
Completeness [%]	77.8	8.61

Crystallization Conditions

crystal ID	method	pH	temperature	details
1	VAPOR DIFFUSION, HANGING DROP	7.5	277	2.2M ammonium sulfate, 2% PEG 400, 0.1M HEPES-Na, pH 7.5, VAPOR DIFFUSION, HANGING DROP, temperature 277K