9R6M

Crystal structure of C14S mutant of triosephosphate isomerase from Chamydomonas reinhardtii

Experimental procedure

Experimental method	SINGLE WAVELENGTH
Source type	SYNCHROTRON
Source details	ESRF BEAMLINE ID30B
Synchrotron site	ESRF
Beamline	ID30B
Temperature [K]	100
Detector technology	PIXEL
Collection date	2021-05-01
Detector	DECTRIS EIGER R 4M
Wavelength(s)	0.9677
Spacegroup name	P 21 21 21
Unit cell lengths	98.975, 99.478, 102.376
Unit cell angles	90.00, 90.00, 90.00

Refinement procedure

Resolution	21.650 - 3.550
R-factor	0.28
Rwork	0.279
R-free	0.29850
Structure solution method	MOLECULAR REPLACEMENT
RMSD bond length	0.003
RMSD bond angle	0.582
Data reduction software	XDS
Data scaling software	SCALA
Phasing software	PHASER
Refinement software	PHENIX ((1.19rc7_4070: ???))

Data quality characteristics

	Overall	Outer shell
Low resolution limit [Å]	98.970	3.890
High resolution limit [Å]	3.550	3.550
Rmerge	0.445	1.565
Rmeas	0.485	1.715
Rpim	0.190	0.686
Number of reflections	12570	2873
<I/σ(I)>	4.3	1.5
Completeness [%]	99.0
Redundancy	6.4	5.9
CC(1/2)	0.972	0.521

Crystallization Conditions

crystal ID	method	pH	temperature	details
1	VAPOR DIFFUSION, HANGING DROP	5	293	0.1 M Bis-Tris (pH 5.0) and 17.5% w/v PEG 3350