7PEK

Crystal structure of Triosephosphate Isomerase C216A mutant from Schizosaccharomyces pombe (SpTIM C216A)

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	149.010, 149.010, 99.510
Unit cell angles	90.00, 90.00, 90.00

Refinement procedure

Resolution	47.120 - 1.740
R-factor	0.1772
Rwork	0.177
R-free	0.20650
Structure solution method	MOLECULAR REPLACEMENT
Starting model (for MR)	4ff7
RMSD bond length	0.007
RMSD bond angle	1.071
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]	47.120	1.806
High resolution limit [Å]	1.740	1.740
Rmerge	0.096	1.241
Rmeas	0.103	0.912
Rpim	0.037	0.881
Number of reflections	110326	10711
<I/σ(I)>	13.49	1.01
Completeness [%]	99.7	97.55
Redundancy	7.6	7.3
CC(1/2)	0.999	0.312

Crystallization Conditions

crystal ID	method	pH	temperature	details
1	VAPOR DIFFUSION, SITTING DROP	9	293.15	2.4 M Ammonium sulphate, 0.1 M Bicine pH:9.0, 11.1 mg/mL protein concentration