7SKB

Crystal Structure of aspartate-semialdehyde dehydrogenase from Acinetobacter baumannii

Experimental procedure

Experimental method	SINGLE WAVELENGTH
Source type	SYNCHROTRON
Source details	APS BEAMLINE 21-ID-G
Synchrotron site	APS
Beamline	21-ID-G
Temperature [K]	100
Detector technology	CCD
Collection date	2021-07-29
Detector	RAYONIX MX-300
Wavelength(s)	0.97856
Spacegroup name	P 1 21 1
Unit cell lengths	48.120, 84.620, 189.480
Unit cell angles	90.00, 93.94, 90.00

Refinement procedure

Resolution	31.070 - 1.800
R-factor	0.1434
Rwork	0.143
R-free	0.17370
Structure solution method	MOLECULAR REPLACEMENT
Starting model (for MR)	3uw3 as per Morda
RMSD bond length	0.008
RMSD bond angle	0.927
Data reduction software	XDS
Data scaling software	XSCALE
Phasing software	MoRDa
Refinement software	PHENIX (1.20rc1)

Data quality characteristics

	Overall	Inner shell	Outer shell
Low resolution limit [Å]	50.000	50.000	1.850
High resolution limit [Å]	1.800	8.050	1.800
Rmerge	0.051	0.021	0.522
Rmeas	0.059	0.024	0.600
Number of reflections	140224	1600	10323
<I/σ(I)>	16.88	43.25	2.49
Completeness [%]	99.9	97	100
Redundancy	4.158	3.749	4.182
CC(1/2)	0.999	0.999	0.801

Crystallization Conditions

crystal ID	method	pH	temperature	details
1	VAPOR DIFFUSION, SITTING DROP	7.5	287	Molecular Dimensions / Calibre MCSG1 screen, conditions G4: 200mM potassium / sodium tartrate, 20% (w/V) PEG 3350: AcbaC.17885.a.B1.PW38925 at 18mg/ml + 3mM NAD. Tray 320156 g4, cryo: 20% EG + 3mM NAD: puck noh5-9