4MRX

Crystal Structure of Y138F obelin mutant from Obelia longissima at 1.72 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	2012-12-25
Detector	ADSC QUANTUM 315r
Wavelength(s)	0.9789
Spacegroup name	P 41
Unit cell lengths	73.491, 73.491, 53.740
Unit cell angles	90.00, 90.00, 90.00

Refinement procedure

Resolution	37.357 - 1.718
R-factor	0.1419
Rwork	0.140
R-free	0.16920
Structure solution method	MOLECULAR REPLACEMENT
Starting model (for MR)	1qv0
RMSD bond length	0.018
RMSD bond angle	1.735
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	1.780
High resolution limit [Å]	1.718	1.720
Number of reflections	30654
Completeness [%]	100.0	100

Crystallization Conditions

crystal ID	method	pH	temperature	details
1	VAPOR DIFFUSION, HANGING DROP	7	277	2.1M DL-Malic acid, pH 7.0, VAPOR DIFFUSION, HANGING DROP, temperature 277K