9QUU

Triosephosphate isomerase of Rhodococcus sp. JG-3

Experimental procedure

Experimental method	SINGLE WAVELENGTH
Source type	SYNCHROTRON
Source details	MAX IV BEAMLINE BioMAX
Synchrotron site	MAX IV
Beamline	BioMAX
Temperature [K]	100
Detector technology	PIXEL
Collection date	2021-04-13
Detector	DECTRIS EIGER2 S 16M
Wavelength(s)	0.9763
Spacegroup name	P 43 21 2
Unit cell lengths	86.102, 86.102, 152.835
Unit cell angles	90.00, 90.00, 90.00

Refinement procedure

Resolution	47.620 - 1.630
R-factor	0.1947
Rwork	0.194
R-free	0.21270
Structure solution method	MOLECULAR REPLACEMENT
RMSD bond length	0.006
RMSD bond angle	0.733
Data reduction software	XDS
Data scaling software	XSCALE
Phasing software	PHASER
Refinement software	PHENIX (1.21.2_5419)

Data quality characteristics

	Overall	Outer shell
Low resolution limit [Å]	47.620	1.680
High resolution limit [Å]	1.630	1.630
Rmerge	0.087
Rmeas	0.089	9.223
Number of reflections	69600	9619
<I/σ(I)>	22.55	0.09
Completeness [%]	87.1	2.68
Redundancy	20.3
CC(1/2)	1.000	0.026

Crystallization Conditions

crystal ID	method	pH	temperature	details
1	VAPOR DIFFUSION, SITTING DROP		292	17% (w/v) PEG 10,000 100 mM Bis-Tris/ Hydrochloric acid pH 5.5 100 mM Ammonium acetat