7V03

Crystal structure of cytoplasmic triosephosphate isomerase from Cuscuta australis

Experimental procedure

Experimental method	SINGLE WAVELENGTH
Source type	SYNCHROTRON
Source details	AUSTRALIAN SYNCHROTRON BEAMLINE MX2
Synchrotron site	Australian Synchrotron
Beamline	MX2
Temperature [K]	100
Detector technology	CCD
Collection date	2021-08-05
Detector	ADSC QUANTUM 315r
Wavelength(s)	0.9464
Spacegroup name	P 1 21 1
Unit cell lengths	49.102, 130.132, 74.998
Unit cell angles	90.00, 90.01, 90.00

Refinement procedure

Resolution	45.940 - 1.780
R-factor	0.2133
Rwork	0.211
R-free	0.25250
Structure solution method	MOLECULAR REPLACEMENT
Starting model (for MR)	4obt
RMSD bond length	0.007
RMSD bond angle	0.876
Data reduction software	MOSFLM
Data scaling software	Aimless
Phasing software	PHENIX
Refinement software	PHENIX (1.19.2_4158)

Data quality characteristics

	Overall	Outer shell
Low resolution limit [Å]	45.940	1.840
High resolution limit [Å]	1.780	1.780
Number of reflections	89461	8804
<I/σ(I)>	6.31
Completeness [%]	99.6	98.38
Redundancy	7
CC(1/2)	0.999	0.979

Crystallization Conditions

crystal ID	method	pH	temperature	details
1	VAPOR DIFFUSION, SITTING DROP		291.15	0.2 M sodium chloride 0.1 M MES pH 6.0, 20 % w/v PEG 6000