8C6O

Crystal Structure of H64F obelin mutant from Obelia longissima at 2.2 Angstrom resolution

Experimental procedure

Experimental method	SINGLE WAVELENGTH
Source type	SYNCHROTRON
Source details	ESRF BEAMLINE MASSIF-3
Synchrotron site	ESRF
Beamline	MASSIF-3
Temperature [K]	100
Detector technology	PIXEL
Collection date	2022-02-26
Detector	DECTRIS EIGER X 4M
Wavelength(s)	0.9677
Spacegroup name	P 61
Unit cell lengths	77.510, 77.510, 180.220
Unit cell angles	90.00, 90.00, 120.00

Refinement procedure

Resolution	38.760 - 2.200
R-factor	0.168
Rwork	0.167
R-free	0.19900
Structure solution method	MOLECULAR REPLACEMENT
Starting model (for MR)	AF-Q27709-F1
RMSD bond length	0.010
RMSD bond angle	0.882
Data reduction software	XDS
Data scaling software	XSCALE
Phasing software	Auto-Rickshaw
Refinement software	PHENIX (1.20.1)

Data quality characteristics

	Overall	Outer shell
Low resolution limit [Å]	38.760	2.279
High resolution limit [Å]	2.200	2.200
Number of reflections	29727	3029
<I/σ(I)>	8.73
Completeness [%]	95.9
Redundancy	5.4
CC(1/2)	0.995	0.277

Crystallization Conditions

crystal ID	method	pH	temperature	details
1	VAPOR DIFFUSION, SITTING DROP	7	293	2.1 Malic acid