7QQI

Sucrose phosphorylase from Faecalibaculum rodentium

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	2020-11-25
Detector	DECTRIS PILATUS3 2M
Wavelength(s)	0.965459
Spacegroup name	P 21 21 21
Unit cell lengths	44.798, 94.409, 104.772
Unit cell angles	90.00, 90.00, 90.00

Refinement procedure

Resolution	46.000 - 1.360
Rwork	0.149
R-free	0.18530
Structure solution method	MOLECULAR REPLACEMENT
Starting model (for MR)	6s9v
RMSD bond length	0.008
RMSD bond angle	1.364
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]	46.000	45.810	1.380
High resolution limit [Å]	1.360	7.450	1.360
Rmerge	0.076	0.026	1.270
Rmeas	0.095	0.032	1.583
Rpim	0.056	0.019	0.933
Number of reflections	95834	660	4676
<I/σ(I)>	10.7
Completeness [%]	99.7
Redundancy	5	4.5	5
CC(1/2)	0.999	0.999	0.450

Crystallization Conditions

crystal ID	method	pH	temperature	details
1	VAPOR DIFFUSION, SITTING DROP	7	291	Protein was concentrated to 30 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: 1 M Na citrate, 0.1 M Tris, pH 7.0, 0.2 M NaCl