9AUB

PLP-dependent BesB-F231Y variant holoenzyme

Experimental procedure

Experimental method	SINGLE WAVELENGTH
Source type	SYNCHROTRON
Source details	SSRL BEAMLINE BL9-2
Synchrotron site	SSRL
Beamline	BL9-2
Temperature [K]	100
Detector technology	PIXEL
Collection date	2020-11-25
Detector	DECTRIS PILATUS 6M
Wavelength(s)	0.97946
Spacegroup name	P 32 2 1
Unit cell lengths	58.520, 58.520, 250.200
Unit cell angles	90.00, 90.00, 120.00

Refinement procedure

Resolution	46.970 - 1.490
R-factor	0.1683
Rwork	0.167
R-free	0.19120
Structure solution method	MOLECULAR REPLACEMENT
RMSD bond length	0.005
RMSD bond angle	0.827
Data reduction software	iMOSFLM
Data scaling software	Aimless
Phasing software	PHASER
Refinement software	PHENIX (1.14_3260)

Data quality characteristics

	Overall	Outer shell
Low resolution limit [Å]	46.970	1.520
High resolution limit [Å]	1.490	1.490
Rpim	0.046	0.957
Number of reflections	82643	4034
<I/σ(I)>	11.8	1.2
Completeness [%]	99.8	100
Redundancy	8.7	8.9
CC(1/2)	0.999	0.350

Crystallization Conditions

crystal ID	method	pH	temperature	details
1	VAPOR DIFFUSION, HANGING DROP	8.5	293	0.16 M magnesium acetate, 0.08 M Tris, 14-22% PEG 8000, and 15-20% glycerol, 4-10 mg/mL SAcBesB