5UCN

Class II fructose-1,6-bisphosphate aldolase E142A 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	39.308, 62.612, 64.507
Unit cell angles	82.17, 75.88, 74.17

Refinement procedure

Resolution	44.980 - 1.670
R-factor	0.1733
Rwork	0.171
R-free	0.20810
Structure solution method	MOLECULAR REPLACEMENT
Starting model (for MR)	3c4u
RMSD bond length	0.006
RMSD bond angle	0.792
Data reduction software	HKL-2000
Data scaling software	HKL-2000
Phasing software	PHASER
Refinement software	PHENIX ((1.10_2155))

Data quality characteristics

	Overall	Outer shell
Low resolution limit [Å]	45.000	1.730
High resolution limit [Å]	1.670	1.670
Rmerge	0.099
Number of reflections	58107
<I/σ(I)>	6.9	0.69
Completeness [%]	86.8	39.1
Redundancy	2.4	1.3
CC(1/2)	0.993

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