9QUS

Triosephosphate isomerase of Rhodonellum psychrophilum

Experimental procedure

Experimental method	SINGLE WAVELENGTH
Source type	SYNCHROTRON
Source details	PETRA III, EMBL c/o DESY BEAMLINE P14 (MX2)
Synchrotron site	PETRA III, EMBL c/o DESY
Beamline	P14 (MX2)
Temperature [K]	100
Detector technology	PIXEL
Collection date	2022-04-22
Detector	DECTRIS EIGER2 X 16M
Wavelength(s)	0.97623
Spacegroup name	P 21 21 21
Unit cell lengths	47.751, 47.796, 196.022
Unit cell angles	90.00, 90.00, 90.00

Refinement procedure

Resolution	49.010 - 1.500
R-factor	0.2961
Rwork	0.293
R-free	0.31000
Structure solution method	MOLECULAR REPLACEMENT
RMSD bond length	0.003
RMSD bond angle	0.495
Data reduction software	XDS
Data scaling software	XSCALE
Phasing software	PHENIX
Refinement software	PHENIX (1.21.2_5419)

Data quality characteristics

	Overall	Outer shell
Low resolution limit [Å]	49.010	1.480
High resolution limit [Å]	1.460	1.460
Rmerge	0.052
Rmeas	0.055	1.779
Number of reflections	78225	16319
<I/σ(I)>	21.63	0.94
Completeness [%]	99.1	89.12
Redundancy	9.1	7.2
CC(1/2)	0.999	0.615

Crystallization Conditions

crystal ID	method	pH	temperature	details
1	VAPOR DIFFUSION, SITTING DROP		292	0.2M lithium acetate 20% PEG3350 25% glycerol