9LEI

Nitrile synthetase ArtA

Experimental procedure

Experimental method	SINGLE WAVELENGTH
Source type	SYNCHROTRON
Source details	SSRF BEAMLINE BL18U1
Synchrotron site	SSRF
Beamline	BL18U1
Temperature [K]	100
Detector technology	PIXEL
Collection date	2023-12-18
Detector	DECTRIS PILATUS3 6M
Wavelength(s)	0.978
Spacegroup name	P 1 21 1
Unit cell lengths	91.178, 106.764, 94.630
Unit cell angles	90.00, 108.68, 90.00

Refinement procedure

Resolution	44.820 - 1.900
R-factor	0.164
Rwork	0.163
R-free	0.19010
Structure solution method	MOLECULAR REPLACEMENT
RMSD bond length	0.008
RMSD bond angle	1.294
Data reduction software	autoPX
Data scaling software	HKL-3000
Phasing software	PHENIX
Refinement software	PHENIX ((1.17.1_3660: ???))

Data quality characteristics

	Overall	Outer shell
Low resolution limit [Å]	50.000	5.160
High resolution limit [Å]	1.900	1.900
Number of reflections	132566	137495
<I/σ(I)>	5.7
Completeness [%]	99.8
Redundancy	6.3
CC(1/2)	0.010	0.010

Crystallization Conditions

crystal ID	method	pH	temperature	details
1	VAPOR DIFFUSION, SITTING DROP		293	NaAc, PEG4000, Glycerol