7YH2

TRAPPC3 from Thorarchaeota AB25

Experimental procedure

Experimental method	SINGLE WAVELENGTH
Source type	SYNCHROTRON
Source details	NSRRC BEAMLINE TPS 05A
Synchrotron site	NSRRC
Beamline	TPS 05A
Temperature [K]	100
Detector technology	CCD
Collection date	2018-10-11
Detector	RAYONIX MX300-HS
Wavelength(s)	1.158
Spacegroup name	P 21 21 21
Unit cell lengths	63.311, 68.502, 72.666
Unit cell angles	90.00, 90.00, 90.00

Refinement procedure

Resolution	32.100 - 1.910
R-factor	0.1723
Rwork	0.169
R-free	0.21170
Structure solution method	MAD
Data reduction software	HKL-2000
Data scaling software	HKL-2000
Phasing software	PHENIX
Refinement software	PHENIX (1.17.1_3660)

Data quality characteristics

	Overall	Outer shell
Low resolution limit [Å]	50.000	1.940
High resolution limit [Å]	1.910	1.910
Rmerge	0.112	0.426
Rmeas	0.117	0.457
Rpim	0.034	0.162
Number of reflections	25147	2433
<I/σ(I)>	58	6.8
Completeness [%]	99.7	93.9
Redundancy	11.7
CC(1/2)		0.968

Crystallization Conditions

crystal ID	method	pH	temperature	details
1	VAPOR DIFFUSION, HANGING DROP	7.5	293	100 mM HEPES pH 7.5 250 mM Mg(HCO2)2 18% PEG 3350