6S9U

Crystal structure of sucrose 6F-phosphate phosphorylase from Ilumatobacter coccineus

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	2018-04-19
Detector	DECTRIS EIGER X 4M
Wavelength(s)	0.9677
Spacegroup name	C 2 2 21
Unit cell lengths	63.434, 92.054, 179.971
Unit cell angles	90.00, 90.00, 90.00

Refinement procedure

Resolution	46.027 - 2.050
R-factor	0.1674
Rwork	0.166
R-free	0.19970
Structure solution method	MOLECULAR REPLACEMENT
Data reduction software	XDS
Data scaling software	Aimless (0.6.3)
Phasing software	PHASER
Refinement software	PHENIX (1.14rc1_3161)

Data quality characteristics

	Overall	Inner shell	Outer shell
Low resolution limit [Å]	46.030	46.030	2.110
High resolution limit [Å]	2.050	8.940	2.050
Rmerge	0.106	0.047	0.829
Rmeas	0.118	0.054	0.925
Rpim	0.051	0.024	0.405
Total number of observations	169930	1983	13050
Number of reflections	33373	463	2567
<I/σ(I)>	9.7	22.5	2.1
Completeness [%]	99.6	98.1	100
Redundancy	5.1	4.3	5.1
CC(1/2)	0.995	0.997	0.638

Crystallization Conditions

crystal ID	method	pH	temperature	details
1	VAPOR DIFFUSION, SITTING DROP	7.5	291	20% PEG 3350, 200 mM Na/K phosphate, 100 mM Bis-Tris propane