6NXS

Crystal structure of Arabidopsis thaliana cytosolic triosephosphate isomerase C218Y mutant

Experimental procedure

Experimental method	SINGLE WAVELENGTH
Source type	SYNCHROTRON
Source details	APS BEAMLINE 21-ID-F
Synchrotron site	APS
Beamline	21-ID-F
Temperature [K]	100
Detector technology	CCD
Collection date	2017-06-26
Detector	MARMOSAIC 300 mm CCD
Wavelength(s)	0.9786
Spacegroup name	P 1 21 1
Unit cell lengths	47.380, 97.211, 68.148
Unit cell angles	90.00, 91.92, 90.00

Refinement procedure

Resolution	68.200 - 1.520
R-factor	0.1905
Rwork	0.190
R-free	0.20820
Structure solution method	MOLECULAR REPLACEMENT
RMSD bond length	0.016
RMSD bond angle	1.808
Data reduction software	xia2
Data scaling software	Aimless (0.7.3)
Phasing software	PHASER
Refinement software	REFMAC (5.8.0238)

Data quality characteristics

	Overall	Outer shell
Low resolution limit [Å]	68.200	1.550
High resolution limit [Å]	1.520	1.520
Rmerge	0.076	0.280
Rmeas	0.086	0.316
Rpim	0.039	0.145
Number of reflections	93845	4589
<I/σ(I)>	9.7
Completeness [%]	99.1	98.1
Redundancy	4.6	4.6
CC(1/2)	0.996	0.953

Crystallization Conditions

crystal ID	method	pH	temperature	details
1	VAPOR DIFFUSION, HANGING DROP		292	0.2 M Calcium acetate hydrate 0.1M Sodium cacodylate trihydrate 6.5 18 % w/v Polyethylene glycol 8,000