7LKJ

Crystal structure of Helicobacter pylori aminofutalosine deaminase (AFLDA)

Experimental procedure

Experimental method	SINGLE WAVELENGTH
Source type	SYNCHROTRON
Source details	APS BEAMLINE 31-ID
Synchrotron site	APS
Beamline	31-ID
Temperature [K]	100
Detector technology	CCD
Collection date	2019-08-07
Detector	RAYONIX MX225HE
Wavelength(s)	0.9793
Spacegroup name	P 1 21 1
Unit cell lengths	73.295, 73.295, 157.495
Unit cell angles	90.00, 98.59, 90.00

Refinement procedure

Resolution	155.727 - 2.790
R-factor	0.2543
Rwork	0.253
R-free	0.28700
Structure solution method	MOLECULAR REPLACEMENT
Starting model (for MR)	3v7p
Data reduction software	MOSFLM
Data scaling software	Aimless
Phasing software	PHASER
Refinement software	PHENIX (1.13_2998)

Data quality characteristics

	Overall	Outer shell
Low resolution limit [Å]	155.730	2.900
High resolution limit [Å]	2.790	2.790
Rmerge	0.200	1.100
Number of reflections	39040	4432
<I/σ(I)>	5	1.3
Completeness [%]	94.2
Redundancy	3.6	3.3
CC(1/2)	0.980	0.550

Crystallization Conditions

crystal ID	method	pH	temperature	details
1	VAPOR DIFFUSION, SITTING DROP		295	100 mM Sodium malonate pH 4.0 and 12% w/v polyethylene glycol 3,350