7PEJ

Crystal structure of Triosephosphate Isomerase from Schizosaccharomyces pombe (SpTIM wt)

Experimental procedure

Experimental method	SINGLE WAVELENGTH
Source type	SYNCHROTRON
Source details	BESSY BEAMLINE 14.2
Synchrotron site	BESSY
Beamline	14.2
Temperature [K]	100
Detector technology	PIXEL
Collection date	2021-07-20
Detector	DECTRIS PILATUS 2M
Wavelength(s)	0.9184
Spacegroup name	I 4
Unit cell lengths	149.510, 149.510, 99.910
Unit cell angles	90.00, 90.00, 90.00

Refinement procedure

Resolution	37.380 - 1.790
R-factor	0.1825
Rwork	0.182
R-free	0.21790
Structure solution method	MOLECULAR REPLACEMENT
Starting model (for MR)	4ff7
RMSD bond length	0.015
RMSD bond angle	1.306
Data reduction software	XDS
Data scaling software	XDS
Phasing software	PHASER
Refinement software	PHENIX (1.19.2_4158)

Data quality characteristics

	Overall	Outer shell
Low resolution limit [Å]	37.380	1.854
High resolution limit [Å]	1.790	1.790
Rmerge	0.096	1.437
Rmeas	0.103	0.915
Rpim	0.038	0.939
Number of reflections	103063	10149
<I/σ(I)>	13.11	0.99
Completeness [%]	99.8	98.26
Redundancy	7.6	7.6
CC(1/2)	0.999	0.307

Crystallization Conditions

crystal ID	method	pH	temperature	details
1	VAPOR DIFFUSION, SITTING DROP	7.6	293.15	2.2 M Ammonium sulphate, 0.2 M Lithium acetate, 9.1 mg/mL protein concentration