6S9V

Crystal structure of sucrose 6F-phosphate phosphorylase from Thermoanaerobacter thermosaccharolyticum

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	P 21 21 21
Unit cell lengths	79.332, 83.690, 147.401
Unit cell angles	90.00, 90.00, 90.00

Refinement procedure

Resolution	39.666 - 1.830
R-factor	0.157
Rwork	0.156
R-free	0.18410
Structure solution method	MOLECULAR REPLACEMENT
Starting model (for MR)	1r7a
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]	45.370	45.370	1.860
High resolution limit [Å]	1.830	9.850	1.830
Rmerge	0.073	0.044	0.671
Rmeas	0.081	0.049	0.739
Rpim	0.034	0.021	0.304
Total number of observations	461327	2855	24229
Number of reflections	86925	609	4407
<I/σ(I)>	12.7	27.3	2.3
Completeness [%]	99.8	96.1	99.8
Redundancy	5.3	4.7	5.5
CC(1/2)	0.998	0.997	0.801

Crystallization Conditions

crystal ID	method	pH	temperature	details
1	VAPOR DIFFUSION, SITTING DROP	5.5	291	26% PEG 3350, 100 mM ammonium sulphate, 100 mM Bis-Tris propane buffer