8OY0

ATP phosphoribosyltransferase (HisZG ATPPRT) from Acinetobacter baumanii

Experimental procedure

Experimental method	SINGLE WAVELENGTH
Source type	ROTATING ANODE
Source details	RIGAKU MICROMAX-007 HF
Temperature [K]	100
Detector technology	CCD
Collection date	2021-01-27
Detector	RIGAKU SATURN 944+
Wavelength(s)	1.54178
Spacegroup name	P 1 21 1
Unit cell lengths	80.271, 172.821, 98.109
Unit cell angles	90.00, 90.97, 90.00

Refinement procedure

Resolution	30.820 - 2.400
R-factor	0.23959
Rwork	0.238
R-free	0.26424
Structure solution method	MOLECULAR REPLACEMENT
RMSD bond length	0.004
RMSD bond angle	0.931
Data reduction software	iMOSFLM
Data scaling software	Aimless
Phasing software	PHASER
Refinement software	REFMAC (5.8.0405)

Data quality characteristics

	Overall	Outer shell
Low resolution limit [Å]	30.820	2.440
High resolution limit [Å]	2.400	2.400
Rmerge	0.124	1.045
Rmeas	0.135	1.164
Rpim	0.051	0.498
Total number of observations	631956	19967
Number of reflections	99446	4130
<I/σ(I)>	9.6	1.4
Completeness [%]	95.6
Redundancy	6.4	4.8
CC(1/2)	0.996	0.618

Crystallization Conditions

crystal ID	method	pH	temperature	details
1	VAPOR DIFFUSION, HANGING DROP	8.5	293	0.2M sodium nitrate, 0.1M bis-Tris propane pH 8.5, 20% PEG3350