7R7M

Crystal structure of Triosephosphate isomerase from Candidate division Katanobacteria (WWE3) bacterium

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	2021-02-12
Detector	ADSC QUANTUM 315r
Wavelength(s)	0.95372
Spacegroup name	P 1 21 1
Unit cell lengths	64.461, 39.499, 78.149
Unit cell angles	90.00, 103.33, 90.00

Refinement procedure

Resolution	43.690 - 2.000
R-factor	0.1539
Rwork	0.151
R-free	0.21140
Structure solution method	MOLECULAR REPLACEMENT
Starting model (for MR)	1yya
RMSD bond length	0.007
RMSD bond angle	0.817
Data reduction software	iMOSFLM
Data scaling software	Aimless
Phasing software	PHENIX
Refinement software	PHENIX (1.18.2_3874)

Data quality characteristics

	Overall	Outer shell
Low resolution limit [Å]	43.690	2.050
High resolution limit [Å]	2.000	2.000
Number of reflections	26321	15961
<I/σ(I)>	24.3
Completeness [%]	97.5
Redundancy	6.9
CC(1/2)	0.997	0.997

Crystallization Conditions

crystal ID	method	pH	temperature	details
1	VAPOR DIFFUSION, SITTING DROP		291.15	0.1 M SPG pH 9.0, 25 % w/v PEG 1500.