8SL7

Butyricicoccus sp. BIOML-A1 tryptophanase complex with (3S) ALG-05

Experimental procedure

Experimental method	SINGLE WAVELENGTH
Source type	SYNCHROTRON
Source details	APS BEAMLINE 23-ID-D
Synchrotron site	APS
Beamline	23-ID-D
Temperature [K]	100
Detector technology	PIXEL
Collection date	2022-03-09
Detector	DECTRIS PILATUS3 6M
Wavelength(s)	1.0
Spacegroup name	P 1
Unit cell lengths	62.640, 93.951, 105.604
Unit cell angles	65.24, 88.01, 74.30

Refinement procedure

Resolution	44.770 - 2.070
R-factor	0.2039
Rwork	0.203
R-free	0.24720
Structure solution method	MOLECULAR REPLACEMENT
RMSD bond length	0.010
RMSD bond angle	1.159
Data reduction software	XDS
Data scaling software	XDS
Phasing software	PHASER
Refinement software	PHENIX ((1.18.2_3874: ???))

Data quality characteristics

	Overall	Outer shell
Low resolution limit [Å]	44.770	2.144
High resolution limit [Å]	2.070	2.070
Number of reflections	122006	12188
<I/σ(I)>	9.5	1.1
Completeness [%]	95.3	93.84
Redundancy	1.9
CC(1/2)	0.998	0.340

Crystallization Conditions

crystal ID	method	pH	temperature	details
1	VAPOR DIFFUSION, HANGING DROP	7.5	293	0.1 M HEPES:NaOH pH 7.5, 25% PEG3350, and 0.1 M ammonium acetate