7W5T

A nonheme iron- and alpha-ketoglutarate- dependent halogenase that catalyzes nucleotide substrates

Experimental procedure

Experimental method	SINGLE WAVELENGTH
Source type	LIQUID ANODE
Source details	BRUKER METALJET
Temperature [K]	100
Detector technology	CMOS
Collection date	2020-12-27
Detector	BRUKER PHOTON 100
Wavelength(s)	1.34138
Spacegroup name	P 21 21 21
Unit cell lengths	52.649, 71.255, 82.473
Unit cell angles	90.00, 90.00, 90.00

Refinement procedure

Resolution	32.710 - 1.740
R-factor	0.1595
Rwork	0.158
R-free	0.18900
Structure solution method	MOLECULAR REPLACEMENT
Starting model (for MR)	7w5s
RMSD bond length	0.014
RMSD bond angle	1.814
Data reduction software	SAINT
Data scaling software	SADABS
Phasing software	PHENIX
Refinement software	REFMAC (5.8.0238)

Data quality characteristics

	Overall	Outer shell
Low resolution limit [Å]	32.710	1.770
High resolution limit [Å]	1.740	1.740
Rmerge	0.060	0.262
Number of reflections	32596	1599
<I/σ(I)>	24.2
Completeness [%]	99.2
Redundancy	11.4

Crystallization Conditions

crystal ID	method	pH	temperature	details
1	VAPOR DIFFUSION, SITTING DROP		298	Ammonium Sulfate, HEPES pH 7.5, PEG 400, di-Potassium hydrogen phosphate