8ZN1

Structure of erythrose-4-phosphate dehydrogenase from Acinetobacter baumannii at 3.00 A resolution

Experimental procedure

Experimental method	SINGLE WAVELENGTH
Source type	SYNCHROTRON
Source details	ESRF BEAMLINE ID30B
Synchrotron site	ESRF
Beamline	ID30B
Temperature [K]	298
Detector technology	PIXEL
Collection date	2023-07-28
Detector	DECTRIS EIGER2 X 9M
Wavelength(s)	0.87313
Spacegroup name	C 2 2 21
Unit cell lengths	147.646, 167.880, 152.269
Unit cell angles	90.00, 90.00, 90.00

Refinement procedure

Resolution	49.536 - 3.000
Rwork	0.166
R-free	0.24190
Structure solution method	MOLECULAR REPLACEMENT
Starting model (for MR)	3cmc
RMSD bond length	0.006
RMSD bond angle	1.499
Data reduction software	XDS
Data scaling software	XSCALE
Phasing software	MOLREP
Refinement software	REFMAC (5.8.0425)

Data quality characteristics

	Overall	Outer shell
Low resolution limit [Å]	49.536	3.130
High resolution limit [Å]	3.000	3.000
Rmerge	0.730	2.860
Rmeas	0.790	2.980
Rpim	0.210	0.780
Number of reflections	38162	4573
<I/σ(I)>	7.3	1.9
Completeness [%]	100.0	100
Redundancy	13.5	14.4
CC(1/2)	0.971	0.690

Crystallization Conditions

crystal ID	method	pH	temperature	details
1	EVAPORATION	7.5	298	A reservoir solution containing 0.2 M MgCl2.6H2O, 0.1 M HEPES sodium (pH 7.5), and 30% v/v PEG 400 was prepared.