44SL

Crystal structure of the complex of erythrose-4-phosphate dehydrogenase from Acinetobacter baumannii with Adenosine monophosphate at 2.40 Angstrom resolution.

Replaces:  9IJ6

Experimental procedure

Experimental method	SINGLE WAVELENGTH
Source type	SYNCHROTRON
Source details	ESRF BEAMLINE ID30B
Synchrotron site	ESRF
Beamline	ID30B
Temperature [K]	100
Detector technology	PIXEL
Collection date	2023-07-28
Detector	DECTRIS EIGER2 X 9M
Wavelength(s)	0.8731
Spacegroup name	C 2 2 21
Unit cell lengths	147.578, 167.012, 155.058
Unit cell angles	90.00, 90.00, 90.00

Refinement procedure

Resolution	83.510 - 2.400
Rwork	0.172
R-free	0.22100
Structure solution method	MOLECULAR REPLACEMENT
RMSD bond length	0.006
RMSD bond angle	1.520
Data reduction software	XDS
Data scaling software	XDS
Phasing software	MOLREP
Refinement software	REFMAC (5.8.0425)

Data quality characteristics

	Overall	Outer shell
Low resolution limit [Å]	83.510	2.450
High resolution limit [Å]	2.400	2.400
Rmerge	0.214	2.055
Rmeas	0.228	2.175
Rpim	0.074	0.705
Number of reflections	74905	4617
<I/σ(I)>	7.6	1
Completeness [%]	100.0	100
Redundancy	9.1	9.2
CC(1/2)	0.996	0.602

Crystallization Conditions

crystal ID	method	pH	temperature	details
1	VAPOR DIFFUSION, HANGING DROP	7.5	298	0.2 M MgSO4.6H2O, 0.1 M HEPES sodium (pH 7.5)