8YI6

BesA wild-type from Streptomyces cattleyicolor

Experimental procedure

Experimental method	SINGLE WAVELENGTH
Source type	SYNCHROTRON
Source details	PHOTON FACTORY BEAMLINE BL-1A
Synchrotron site	Photon Factory
Beamline	BL-1A
Temperature [K]	100
Detector technology	PIXEL
Collection date	2022-11-02
Detector	DECTRIS EIGER X 4M
Wavelength(s)	2.700
Spacegroup name	P 42 21 2
Unit cell lengths	138.680, 138.680, 144.980
Unit cell angles	90.00, 90.00, 90.00

Refinement procedure

Resolution	46.450 - 3.600
R-factor	0.24158
Rwork	0.239
R-free	0.29012
Structure solution method	MOLECULAR REPLACEMENT
RMSD bond length	0.006
RMSD bond angle	1.960
Data reduction software	XDS
Data scaling software	XSCALE
Phasing software	PHASER (2.8.3)
Refinement software	REFMAC (5.8.0419)

Data quality characteristics

	Overall	Inner shell	Outer shell
Low resolution limit [Å]	46.450	46.450	3.700
High resolution limit [Å]	3.600	10.000	3.600
Rmerge	0.099	0.039	1.745
Rmeas	0.105	0.042	1.855
Number of reflections	16959	882	1311
<I/σ(I)>	13.32
Completeness [%]	99.9
Redundancy	8.6
CC(1/2)	0.998	0.998	0.719

Crystallization Conditions

crystal ID	method	pH	temperature	details
1	VAPOR DIFFUSION, SITTING DROP	4.5	293	0.2 M lithium sulfate, 50% (v/v) PEG 400, 0.1 M sodium acetate, 5 mM ATP, 4 mM L-glutamic acid, 4 mM L-propargylglycine