8FTN

E. coli ArnA dehydrogenase domain mutant - N492A

Experimental procedure

Experimental method	SINGLE WAVELENGTH
Source type	SEALED TUBE
Source details	RIGAKU MICROMAX-003
Temperature [K]	100
Detector technology	PIXEL
Collection date	2022-05-19
Detector	DECTRIS PILATUS 200K
Wavelength(s)	1.54
Spacegroup name	P 41 3 2
Unit cell lengths	150.129, 150.129, 150.129
Unit cell angles	90.00, 90.00, 90.00

Refinement procedure

Resolution	37.530 - 2.800
R-factor	0.2266
Rwork	0.225
R-free	0.26560
Structure solution method	FOURIER SYNTHESIS
RMSD bond length	0.003
RMSD bond angle	0.553
Data reduction software	HKL-3000
Data scaling software	HKL-3000
Phasing software	PHENIX (1.20.1_4487)
Refinement software	PHENIX (1.20.1_4487)

Data quality characteristics

	Overall	Outer shell
Low resolution limit [Å]	50.000	2.850
High resolution limit [Å]	2.800	2.800
Rmeas		0.620
Rpim	0.059	0.367
Number of reflections	13135	410
<I/σ(I)>	13.5	2
Completeness [%]	88.6	57.7
Redundancy	5.9	2.3
CC(1/2)		0.755

Crystallization Conditions

crystal ID	method	pH	temperature	details
1	VAPOR DIFFUSION, HANGING DROP		277	3.2 M NaCl, 0.1 M bis Tris pH 5.2