8C4I

Ligand-free Crystal Structure of the decameric Sulfofructose Transaldolase BmSF-TAL

Replaces:  8BCO

Experimental procedure

Experimental method	SINGLE WAVELENGTH
Source type	SYNCHROTRON
Source details	DIAMOND BEAMLINE I03
Synchrotron site	Diamond
Beamline	I03
Temperature [K]	100
Detector technology	PIXEL
Collection date	2021-02-03
Detector	DECTRIS PILATUS 6M-F
Wavelength(s)	0.9763
Spacegroup name	P 1 21 1
Unit cell lengths	73.891, 120.839, 152.643
Unit cell angles	90.00, 93.40, 90.00

Refinement procedure

Resolution	68.084 - 3.200
Rwork	0.235
R-free	0.26820
Structure solution method	MOLECULAR REPLACEMENT
RMSD bond length	0.006
RMSD bond angle	1.281
Data scaling software	Aimless
Phasing software	MOLREP
Refinement software	REFMAC (5.8.0403)

Data quality characteristics

	Overall	Inner shell	Outer shell
Low resolution limit [Å]	68.084	67.990	3.320
High resolution limit [Å]	3.200	11.970	3.200
Rmerge	0.177	0.058	0.498
Rmeas	0.210	0.071	0.586
Rpim	0.113	0.040	0.308
Number of reflections	44297	881	4601
<I/σ(I)>	6.6
Completeness [%]	99.9
Redundancy	6.7	6.2	7
CC(1/2)	0.978	0.831	0.923

Crystallization Conditions

crystal ID	method	pH	temperature	details
1	VAPOR DIFFUSION, SITTING DROP	7.4	298	0.2 M NaSO4, 0.1 M bis-TRIS propane, 20% PEG 3350, with a 3:2 protein:mother liquor ratio and 1 ul drop size. Protein was used in 50 mM TRIS, 300 mM NaCl pH 7.4 at 23 mg/ml