9LTB

Crystal structure of Altererythrobacter sp. S1-5 Tryptophan halogenase putative

Experimental procedure

Experimental method	SINGLE WAVELENGTH
Source type	SYNCHROTRON
Source details	SOLEIL BEAMLINE PROXIMA 2
Synchrotron site	SOLEIL
Beamline	PROXIMA 2
Temperature [K]	100
Detector technology	PIXEL
Collection date	2023-11-24
Detector	DECTRIS EIGER X 9M
Wavelength(s)	0.987
Spacegroup name	P 1
Unit cell lengths	50.020, 65.500, 81.930
Unit cell angles	104.46, 107.61, 92.79

Refinement procedure

Resolution	47.240 - 1.490
R-factor	0.2096
Rwork	0.209
R-free	0.23430
Structure solution method	MOLECULAR REPLACEMENT
RMSD bond angle	7.076
Data reduction software	XDS
Data scaling software	Aimless
Phasing software	PHASER
Refinement software	PHENIX ((1.20.1_4487: ???))

Data quality characteristics

	Overall	Outer shell
Low resolution limit [Å]	47.240	1.545
High resolution limit [Å]	1.490	1.492
Number of reflections	146240	13485
<I/σ(I)>	7.35	0.74
Completeness [%]	94.5	86.9
Redundancy	3	2.8
CC(1/2)	0.995	0.442

Crystallization Conditions

crystal ID	method	pH	temperature	details
1	VAPOR DIFFUSION, HANGING DROP		298	0.02M Magnesium chloride hexahydrate, 0.1M HEPES pH 7.5, 22% w/v Poly(acrylic acid sodium salt) 5100