5UD4

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

Experimental procedure

Experimental method	SINGLE WAVELENGTH
Source type	SYNCHROTRON
Source details	NSLS BEAMLINE X25
Synchrotron site	NSLS
Beamline	X25
Temperature [K]	100
Detector technology	PIXEL
Collection date	2014-07-30
Detector	DECTRIS PILATUS 6M
Wavelength(s)	1.1
Spacegroup name	P 1
Unit cell lengths	39.391, 62.590, 64.817
Unit cell angles	81.98, 75.74, 74.23

Refinement procedure

Resolution	45.135 - 1.500
R-factor	0.1359
Rwork	0.134
R-free	0.17690
Structure solution method	MOLECULAR REPLACEMENT
Starting model (for MR)	3c4u
RMSD bond length	0.008
RMSD bond angle	0.933
Data reduction software	HKL-2000
Data scaling software	HKL-2000
Phasing software	PHASER
Refinement software	PHENIX ((1.11.1_2575))

Data quality characteristics

	Overall
Low resolution limit [Å]	45.135
High resolution limit [Å]	1.500
Rmerge	0.076
Number of reflections	83963
<I/σ(I)>	7.07
Completeness [%]	86.2
Redundancy	1.8
CC(1/2)	0.985

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