7N8U

Crystal structure of Triosephosphate isomerase from Candidatus Prometheoarchaeum syntrophicum

Experimental procedure

Experimental method	SINGLE WAVELENGTH
Source type	SYNCHROTRON
Source details	AUSTRALIAN SYNCHROTRON BEAMLINE MX1
Synchrotron site	Australian Synchrotron
Beamline	MX1
Temperature [K]	100
Detector technology	CCD
Collection date	2020-09-30
Detector	ADSC QUANTUM 210r
Wavelength(s)	0.95372
Spacegroup name	P 21 21 21
Unit cell lengths	38.289, 121.350, 129.263
Unit cell angles	90.00, 90.00, 90.00

Refinement procedure

Resolution	44.240 - 1.980
R-factor	0.1678
Rwork	0.166
R-free	0.20670
Structure solution method	MOLECULAR REPLACEMENT
Starting model (for MR)	1b9b
RMSD bond length	0.007
RMSD bond angle	0.862
Data reduction software	MOSFLM
Data scaling software	Aimless
Phasing software	PHASER
Refinement software	PHENIX (1.18.2_3874)

Data quality characteristics

	Overall	Outer shell
Low resolution limit [Å]	44.240	2.100
High resolution limit [Å]	1.980	1.980
Number of reflections	43128	6790
<I/σ(I)>	20.1
Completeness [%]	99.8
Redundancy	13.5
CC(1/2)	0.999	0.921

Crystallization Conditions

crystal ID	method	pH	temperature	details
1	VAPOR DIFFUSION, SITTING DROP		291.15	25 % v/v Polyethylene glycol monomethyl ether 550, 50 mM HEPES; pH 7.0, 10 mM Magnesium chloride