7WGK

Crystal structure of Adenosine triphosphate phosphoribosyltransferase (HisG) from Acinetobacter baumannii at 3.13 A resolution

Experimental procedure

Experimental method	SINGLE WAVELENGTH
Source type	SYNCHROTRON
Source details	ESRF BEAMLINE ID23-2
Synchrotron site	ESRF
Beamline	ID23-2
Temperature [K]	100
Detector technology	PIXEL
Collection date	2021-11-17
Detector	DECTRIS PILATUS 6M
Wavelength(s)	0.873
Spacegroup name	P 21 21 21
Unit cell lengths	74.401, 80.950, 99.050
Unit cell angles	90.00, 90.00, 90.00

Refinement procedure

Resolution	59.488 - 3.130
Rwork	0.219
R-free	0.29870
Structure solution method	MOLECULAR REPLACEMENT
Starting model (for MR)	5m8h
RMSD bond length	0.006
RMSD bond angle	1.573
Data reduction software	XDS
Data scaling software	XDS
Phasing software	MOLREP
Refinement software	REFMAC (5.8.0267)

Data quality characteristics

	Overall	Outer shell
Low resolution limit [Å]	59.490	3.180
High resolution limit [Å]	3.130	3.130
Rmerge	0.109	1.249
Number of reflections	11022	532
<I/σ(I)>	19.4	2.3
Completeness [%]	99.8	100
Redundancy	14.9	15
CC(1/2)	0.999	0.930

Crystallization Conditions

crystal ID	method	pH	temperature	details
1	VAPOR DIFFUSION, HANGING DROP	4.6	298	0.1M Sodium Acetate Trihydrate (pH 4.6), 2M Sodium Formate