5UD2

Class II fructose-1,6-bisphosphate aldolase H180Q variant of Helicobacter pylori with DHAP

Experimental procedure

Experimental method	SINGLE WAVELENGTH
Source type	SYNCHROTRON
Source details	CLSI BEAMLINE 08ID-1
Synchrotron site	CLSI
Beamline	08ID-1
Temperature [K]	100
Detector technology	CCD
Collection date	2015-06-17
Detector	RAYONIX MX300HE
Wavelength(s)	0.97949
Spacegroup name	P 1
Unit cell lengths	39.407, 63.089, 64.789
Unit cell angles	82.51, 75.96, 74.39

Refinement procedure

Resolution	35.785 - 1.775
R-factor	0.1942
Rwork	0.193
R-free	0.21590
Structure solution method	MOLECULAR REPLACEMENT
Starting model (for MR)	3c4u
RMSD bond length	0.004
RMSD bond angle	0.596
Data reduction software	HKL-2000
Data scaling software	HKL-2000
Phasing software	PHASER
Refinement software	PHENIX ((dev_2481))

Data quality characteristics

	Overall
Low resolution limit [Å]	35.785
High resolution limit [Å]	1.775
Number of reflections	50414
<I/σ(I)>	7.83
Completeness [%]	83.4
Redundancy	2.1

Crystallization Conditions

crystal ID	method	pH	temperature	details
1	VAPOR DIFFUSION, HANGING DROP	8	297	PEG 8000, PEG 1000, Calcium acetate, Tris-Acetic acid buffer