9LL3

X-ray structure of Enterobacter cloaca transaldolase in complex with D-fructose-6-phosphate.

Experimental procedure

Experimental method	SINGLE WAVELENGTH
Source type	ROTATING ANODE
Source details	RIGAKU MICROMAX-007 HF
Temperature [K]	100
Detector technology	IMAGE PLATE
Collection date	2019-12-12
Detector	RIGAKU RAXIS VII
Wavelength(s)	1.5418
Spacegroup name	C 2 2 21
Unit cell lengths	98.560, 179.960, 133.580
Unit cell angles	90.00, 90.00, 90.00

Refinement procedure

Resolution	19.600 - 1.920
R-factor	0.16762
Rwork	0.166
R-free	0.20128
Structure solution method	MOLECULAR REPLACEMENT
Starting model (for MR)	3s1v
RMSD bond length	0.004
RMSD bond angle	1.119
Data reduction software	XDS
Data scaling software	XDS
Phasing software	MOLREP
Refinement software	REFMAC (5.8.0430)

Data quality characteristics

	Overall	Outer shell
Low resolution limit [Å]	19.600	1.970
High resolution limit [Å]	1.920	1.920
Rmerge	0.117	0.912
Number of reflections	90439	6596
<I/σ(I)>	14.7	2.3
Completeness [%]	99.8
Redundancy	7.2	7.2
CC(1/2)	0.998	0.771

Crystallization Conditions

crystal ID	method	pH	temperature	details
1	VAPOR DIFFUSION, SITTING DROP		298	100 mM cacodylate buffer, pH 6.5, 10% (w/v) PEG3000, 10% (w/v) PEG 8000, 200 mM of MgCl2, 20 mM dihydroxtacetone, 20 mM, 20 mM D,L-glyceraldehyde-3-phosphate