5UCK

Class II fructose-1,6-bisphosphate aldolase of Helicobacter pylori with cleavage products

Experimental procedure

Experimental method	SINGLE WAVELENGTH
Source type	SYNCHROTRON
Source details	NSLS BEAMLINE X29A
Synchrotron site	NSLS
Beamline	X29A
Temperature [K]	100
Detector technology	CCD
Collection date	2014-07-30
Detector	ADSC QUANTUM 315
Wavelength(s)	1.075
Spacegroup name	P 1
Unit cell lengths	39.384, 62.843, 64.754
Unit cell angles	82.23, 75.97, 74.40

Refinement procedure

Resolution	45.190 - 1.782
R-factor	0.1928
Rwork	0.191
R-free	0.23190
Structure solution method	MOLECULAR REPLACEMENT
Starting model (for MR)	3c4u
RMSD bond length	0.004
RMSD bond angle	0.710
Data reduction software	HKL-2000
Data scaling software	HKL-2000
Phasing software	PHASER
Refinement software	PHENIX ((dev_2481))

Data quality characteristics

	Overall	Outer shell
Low resolution limit [Å]	45.190	1.846
High resolution limit [Å]	1.782	1.782
Rmerge	0.059	0.445
Number of reflections	51940
<I/σ(I)>	9.02	1.26
Completeness [%]	85.3	60.81
Redundancy	1.9	1.6
CC(1/2)	0.994	0.783

Crystallization Conditions

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