7QQJ

Sucrose phosphorylase from Jeotgalibaca ciconiae

Experimental procedure

Experimental method	SINGLE WAVELENGTH
Source type	SYNCHROTRON
Source details	ESRF BEAMLINE MASSIF-1
Synchrotron site	ESRF
Beamline	MASSIF-1
Temperature [K]	100
Detector technology	PIXEL
Collection date	2021-06-06
Detector	DECTRIS PILATUS3 2M
Wavelength(s)	0.96546
Spacegroup name	P 1 21 1
Unit cell lengths	51.639, 90.828, 96.170
Unit cell angles	90.00, 92.83, 90.00

Refinement procedure

Resolution	48.000 - 2.050
Rwork	0.196
R-free	0.25440
Structure solution method	MOLECULAR REPLACEMENT
Starting model (for MR)	7qqi
RMSD bond length	0.009
RMSD bond angle	1.571
Data scaling software	XDS
Phasing software	PHASER
Refinement software	REFMAC (5.8.0267)

Data quality characteristics

	Overall	Inner shell	Outer shell
Low resolution limit [Å]	48.000	48.000	2.110
High resolution limit [Å]	2.050	8.940	2.050
Rmerge	0.123	0.046	0.908
Rmeas	0.172	0.064	1.269
Rpim	0.121	0.046	0.885
Number of reflections	54973	651	4272
<I/σ(I)>	5.9
Completeness [%]	98.8
Redundancy	3	3	2.8
CC(1/2)	0.987	0.994	0.336

Crystallization Conditions

crystal ID	method	pH	temperature	details
1	VAPOR DIFFUSION, SITTING DROP	6.5	291	Protein was concentrated to 16 mg/ml in 25 mM Tris, pH 7.8, 100 mM NaCl. Drops were prepared by mixing protein and reservoir solution at a 1:1 volume ratio. Composition reservoir solution: 25% PEG 3350, 0.1 M Bis-tris propane, pH 6.5, 50 mM Na/K phosphate