7BTU

Crystal structure of TrmO from P. areuginosa

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	2019-11-16
Detector	DECTRIS PILATUS 2M
Wavelength(s)	0.9793
Spacegroup name	P 21 21 21
Unit cell lengths	56.903, 70.723, 127.773
Unit cell angles	90.00, 90.00, 90.00

Refinement procedure

Resolution	47.410 - 1.910
R-factor	0.1881
Rwork	0.186
R-free	0.22830
Structure solution method	MOLECULAR REPLACEMENT
Starting model (for MR)	1xqb
RMSD bond length	0.015
RMSD bond angle	1.307
Data reduction software	XDS
Data scaling software	Aimless
Phasing software	PHASER
Refinement software	PHENIX (1.15.2_3472)

Data quality characteristics

	Overall	Outer shell
Low resolution limit [Å]	47.410	1.950
High resolution limit [Å]	1.910	1.910
Rmerge	0.173	1.398
Rmeas	0.180	1.455
Rpim	0.049	0.400
Number of reflections	40832	2645
<I/σ(I)>	11.1
Completeness [%]	99.8	98
Redundancy	13.1	13
CC(1/2)	0.996	0.798

Crystallization Conditions

crystal ID	method	pH	temperature	details
1	VAPOR DIFFUSION, SITTING DROP	7.5	297	0.1 M HEPES (pH 7.5), 1.2 M K2HPO4