5UD3

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

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	39.480, 64.904, 62.706
Unit cell angles	82.10, 74.17, 75.83

Refinement procedure

Resolution	37.073 - 1.440
R-factor	0.1357
Rwork	0.135
R-free	0.16430
Structure solution method	MOLECULAR REPLACEMENT
Starting model (for MR)	3c4u
RMSD bond length	0.006
RMSD bond angle	0.868
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]	37.073
High resolution limit [Å]	1.440
Rmerge	0.052
Number of reflections	97445
<I/σ(I)>	8.93
Completeness [%]	88.7
Redundancy	1.8
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