4MRY

Crystal Structure of Ca(2+)- discharged Y138F obelin mutant from Obelia longissima at 1.30 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	2011-09-22
Detector	ADSC QUANTUM 315r
Wavelength(s)	0.9789
Spacegroup name	P 21 21 21
Unit cell lengths	43.614, 57.112, 68.258
Unit cell angles	90.00, 90.00, 90.00

Refinement procedure

Resolution	34.663 - 1.299
R-factor	0.175
Rwork	0.174
R-free	0.19310
Structure solution method	MOLECULAR REPLACEMENT
Starting model (for MR)	2f8p
RMSD bond length	0.007
RMSD bond angle	1.139
Data reduction software	HKL-2000
Data scaling software	HKL-2000
Phasing software	PHASES
Refinement software	PHENIX ((phenix.refine: 1.7.3_928))

Data quality characteristics

	Overall	Outer shell
Low resolution limit [Å]	50.000	1.320
High resolution limit [Å]	1.299	1.300
Number of reflections	40375
Completeness [%]	94.4	65.5

Crystallization Conditions

crystal ID	method	pH	temperature	details
1	VAPOR DIFFUSION, HANGING DROP	6.5	289	0.2M ammonium nitrate, 20% PEG 3350, pH 6.5, VAPOR DIFFUSION, HANGING DROP, temperature 289K