7YLZ

Unliganded form of hydroxyamidotransferase TsnB9

Experimental procedure

Experimental method	SINGLE WAVELENGTH
Source type	SYNCHROTRON
Source details	PHOTON FACTORY BEAMLINE AR-NE3A
Synchrotron site	Photon Factory
Beamline	AR-NE3A
Temperature [K]	100
Detector technology	PIXEL
Collection date	2020-12-04
Detector	DECTRIS PILATUS 2M-F
Wavelength(s)	1.000
Spacegroup name	P 1
Unit cell lengths	67.680, 76.570, 82.140
Unit cell angles	101.15, 114.44, 109.56

Refinement procedure

Resolution	33.611 - 2.720
Rwork	0.266
R-free	0.29370
Structure solution method	MOLECULAR REPLACEMENT
Starting model (for MR)	AlphaFold model
RMSD bond length	0.002
RMSD bond angle	1.187
Data reduction software	XDS
Data scaling software	XSCALE
Phasing software	MOLREP
Refinement software	REFMAC (5.8.0267)

Data quality characteristics

	Overall	Outer shell
Low resolution limit [Å]	50.000	2.790
High resolution limit [Å]	2.720	2.720
Number of reflections	64632	5006
<I/σ(I)>	6.42	1.14
Completeness [%]	91.8
Redundancy	1.9
CC(1/2)	0.986	0.702

Crystallization Conditions

crystal ID	method	pH	temperature	details
1	VAPOR DIFFUSION, HANGING DROP	6.5	293	30% (w/v) PEG 8,000, 0.2 M ammonium sulfate, and 0.1 M sodium cacodylate trihydrate (pH 6.5)