7BTZ

Crystal structure of TrmO

Experimental procedure

Experimental method	SINGLE WAVELENGTH
Source type	SYNCHROTRON
Source details	SSRF BEAMLINE BL19U1
Synchrotron site	SSRF
Beamline	BL19U1
Temperature [K]	100
Detector technology	PIXEL
Collection date	2019-12-16
Detector	DECTRIS PILATUS3 S 6M
Wavelength(s)	0.9793
Spacegroup name	P 21 21 21
Unit cell lengths	57.913, 69.931, 127.270
Unit cell angles	90.00, 90.00, 90.00

Refinement procedure

Resolution	19.740 - 2.400
R-factor	0.2059
Rwork	0.203
R-free	0.25340
Structure solution method	MOLECULAR REPLACEMENT
Starting model (for MR)	1xqb
RMSD bond length	0.004
RMSD bond angle	0.751
Data reduction software	XDS
Data scaling software	Aimless
Phasing software	PHENIX
Refinement software	PHENIX (1.15.2_3472)

Data quality characteristics

	Overall	Outer shell
Low resolution limit [Å]	19.740	2.490
High resolution limit [Å]	2.400	2.400
Rmerge	0.205	1.547
Rmeas	0.213	1.607
Rpim	0.058	0.431
Number of reflections	20854	2139
<I/σ(I)>	12.5	2.1
Completeness [%]	99.8	100
Redundancy	13.1	13.7
CC(1/2)	0.997	0.726

Crystallization Conditions

crystal ID	method	pH	temperature	details
1	VAPOR DIFFUSION, SITTING DROP	7.5	293	0.1 M HEPES (pH 7.5), 1.2 M K2HPO4