8AFU

DaArgC - N-acetyl-gamma-glutamyl-phosphate Reductase of Denitrovibrio acetiphilus

Experimental procedure

Experimental method	SINGLE WAVELENGTH
Source type	SYNCHROTRON
Source details	ESRF BEAMLINE ID30B
Synchrotron site	ESRF
Beamline	ID30B
Temperature [K]	80
Detector technology	PIXEL
Collection date	2021-02-12
Detector	DECTRIS PILATUS3 6M
Wavelength(s)	0.97625
Spacegroup name	I 1 2 1
Unit cell lengths	86.698, 77.841, 122.026
Unit cell angles	90.00, 92.87, 90.00

Refinement procedure

Resolution	43.290 - 1.990
R-factor	0.185
Rwork	0.184
R-free	0.21560
Structure solution method	MOLECULAR REPLACEMENT
Starting model (for MR)	3dr3
Data reduction software	XDS (20220220)
Data scaling software	SCALA (3.3.22)
Phasing software	PHENIX (1.20.1_4487)
Refinement software	PHENIX (1.20.1_4487)

Data quality characteristics

	Overall	Inner shell	Outer shell
Low resolution limit [Å]	43.294	43.294	2.100
High resolution limit [Å]	1.990	6.290	1.990
Rmerge		0.043	0.529
Rmeas	0.078	0.047	0.576
Rpim	0.030	0.019	0.225
Total number of observations	360748	10873	48605
Number of reflections	55251	1817	7750
<I/σ(I)>	13.4	31.9	3.2
Completeness [%]	99.2	99.3	95.5
Redundancy	6.5	6	6.3

Crystallization Conditions

crystal ID	method	pH	temperature	details
1	VAPOR DIFFUSION, SITTING DROP	6.5	288.15	0,2 M Potassium bromide 0,2 M Potassium thiocyanate 0,1 M Sodium cacodylate pH 6.5 3 % w/v gamma-PGA (Na+ form, LM) 2 % v/v PEG 500 MME