7RPN

Crystal structure of triosephosphate isomerase from Bacteroides thetaiotaomicron

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 A
Spacegroup name	P 32 2 1
Unit cell lengths	51.650, 51.650, 207.172
Unit cell angles	90.00, 90.00, 120.00

Refinement procedure

Resolution	44.730 - 1.370
R-factor	0.1577
Rwork	0.157
R-free	0.17400
Structure solution method	MOLECULAR REPLACEMENT
Starting model (for MR)	6nee
RMSD bond length	0.005
RMSD bond angle	0.851
Data reduction software	MOSFLM
Data scaling software	Aimless
Phasing software	PHENIX
Refinement software	PHENIX (1.18.2_3874)

Data quality characteristics

	Overall	Outer shell
Low resolution limit [Å]	44.730	1.450
High resolution limit [Å]	1.370	1.370
Number of reflections	68732	10909
<I/σ(I)>	43.91
Completeness [%]	99.9
Redundancy	20
CC(1/2)	1.000	0.995

Crystallization Conditions

crystal ID	method	pH	temperature	details
1	VAPOR DIFFUSION, SITTING DROP		291.15	0.1 M citrate, pH 5.0, 20% w/v PEG 6000