7SBC

Crystal structure of a GMP synthase from Acinetobacter baumannii AB5075-UW

Experimental procedure

Experimental method	SINGLE WAVELENGTH
Source type	ROTATING ANODE
Source details	RIGAKU FR-E+ SUPERBRIGHT
Temperature [K]	100
Detector technology	CCD
Collection date	2021-06-22
Detector	RIGAKU SATURN 944+
Wavelength(s)	1.5418
Spacegroup name	P 1
Unit cell lengths	81.000, 83.180, 104.350
Unit cell angles	98.91, 109.83, 106.84

Refinement procedure

Resolution	48.820 - 1.950
R-factor	0.1778
Rwork	0.177
R-free	0.20850
Structure solution method	MOLECULAR REPLACEMENT
Starting model (for MR)	1gpm
Data reduction software	XDS
Data scaling software	XSCALE
Phasing software	MOLREP
Refinement software	PHENIX (dev-4274)

Data quality characteristics

	Overall	Inner shell	Outer shell
Low resolution limit [Å]	48.820	48.820	2.000
High resolution limit [Å]	1.950	8.720	1.950
Rmerge	0.056	0.020	0.458
Rmeas	0.060	0.022	0.497
Total number of observations	1252528
Number of reflections	169147	1886	12223
<I/σ(I)>	23.49	78.85	4.4
Completeness [%]	98.4	97.3	95.7
Redundancy	7.405	7.375	6.589
CC(1/2)	0.999	0.999	0.956

Crystallization Conditions

crystal ID	method	pH	temperature	details
1	VAPOR DIFFUSION, SITTING DROP	8.5	287	AcbaC.17876.a.B1.PW38920 at 23 mg/mL against MCSG1 condition D3: 0.2 M MgCl2, 30% PEG 400, 0.1 M Tris pH 8.5, direct cryo, unique puck ID ffj4-5, crystal tracking ID 320097d3