9LU2

Crystal structure of Pseudoalteromonas sp. L11-2 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	I 1 2 1
Unit cell lengths	87.899, 63.163, 214.076
Unit cell angles	90.00, 99.81, 90.00

Refinement procedure

Resolution	47.910 - 2.980
R-factor	0.32433
Rwork	0.322
R-free	0.36515
Structure solution method	MOLECULAR REPLACEMENT
Data reduction software	XDS
Data scaling software	Aimless
Phasing software	PHASER
Refinement software	REFMAC (refmac5)

Data quality characteristics

	Overall	Outer shell
Low resolution limit [Å]	47.910	3.160
High resolution limit [Å]	2.980	2.980
Number of reflections	23434	3629
<I/σ(I)>	3.1	1.1
Completeness [%]	97.8	94.6
Redundancy	5.9	5.9
CC(1/2)	0.910	0.240

Crystallization Conditions

crystal ID	method	pH	temperature	details
1	VAPOR DIFFUSION, SITTING DROP		298	0.1M Calcium acetate hydrate, 0.1M MES pH 6.0, 15% v/v PEG 400