6BNG

Structure of 2-dehydro-3-deoxyphosphooctonate aldolase from Acinetobacter baumannii

Experimental procedure

Experimental method	SINGLE WAVELENGTH
Source type	SYNCHROTRON
Source details	APS BEAMLINE 21-ID-F
Synchrotron site	APS
Beamline	21-ID-F
Temperature [K]	100
Detector technology	CCD
Collection date	2017-03-22
Detector	RAYONIX MX-300
Wavelength(s)	0.97872
Spacegroup name	P 21 21 2
Unit cell lengths	77.690, 83.930, 87.700
Unit cell angles	90.00, 90.00, 90.00

Refinement procedure

Resolution	47.801 - 2.200
R-factor	0.1828
Rwork	0.180
R-free	0.22620
Structure solution method	MOLECULAR REPLACEMENT
Starting model (for MR)	4lu0
Data reduction software	XDS
Data scaling software	XSCALE
Phasing software	MoRDa
Refinement software	PHENIX (dev_2947)

Data quality characteristics

	Overall	Inner shell	Outer shell
Low resolution limit [Å]	47.801	47.801	2.260
High resolution limit [Å]	2.200	9.840	2.200
Rmerge	0.068	0.036	0.505
Rmeas	0.077	0.042	0.564
Number of reflections	29750	378	2169
<I/σ(I)>	13.6	30.17	2.96
Completeness [%]	99.9	96.2	100
Redundancy	4.89	3.992	4.957
CC(1/2)	0.998	0.997	0.922

Crystallization Conditions

crystal ID	method	pH	temperature	details
1	VAPOR DIFFUSION, SITTING DROP	7.5	285	Microlytic/Anatrace MCSG-1 screen condition F9:, 30% pentaerythriol ethoxylate 15/4, 50mM Ammonium sulfate, 50mM BisTris/HCl pH 6.5: AcbaC.00102.a.B3.PS38194 at 23.46mg/ml: cryo: 20% EG: tray 289078 F8: puck MKN8-4.