9FK6

The structure of XT6 from G.proteiniphilus T-6: The E265G/N158D mutant

Experimental procedure

Experimental method	SINGLE WAVELENGTH
Source type	ROTATING ANODE
Source details	RIGAKU
Temperature [K]	100
Detector technology	PIXEL
Collection date	2021-09-05
Detector	DECTRIS PILATUS 200K
Wavelength(s)	1.54
Spacegroup name	I 1 2 1
Unit cell lengths	89.133, 61.874, 110.956
Unit cell angles	90.00, 105.37, 90.00

Refinement procedure

Resolution	36.550 - 1.950
R-factor	0.1791
Rwork	0.177
R-free	0.21110
Structure solution method	MOLECULAR REPLACEMENT
RMSD bond length	0.007
RMSD bond angle	0.795
Data reduction software	XDS
Data scaling software	Aimless
Phasing software	PHENIX
Refinement software	PHENIX (1.17.1_3660)

Data quality characteristics

	Overall	Outer shell
Low resolution limit [Å]	39.820	2.020
High resolution limit [Å]	1.950	1.950
Rmerge	0.260	0.770
Rmeas	0.300	0.850
Rpim	0.130	0.350
Number of reflections	42623	2959
<I/σ(I)>	5.4	3.1
Completeness [%]	99.9
Redundancy	5.4
CC(1/2)	0.950	0.800

Crystallization Conditions

crystal ID	method	pH	temperature	details
1	VAPOR DIFFUSION, HANGING DROP	7.5	293	16% PEG 5K, 0.1M MES buffer at pH 6.5 and 0.02M Zinc chloride