6NXR

Crystal structure of Arabidopsis thaliana cytosolic triosephosphate isomerase C13D mutant

Experimental procedure

Experimental method	SINGLE WAVELENGTH
Source type	SYNCHROTRON
Source details	APS BEAMLINE 21-ID-G
Synchrotron site	APS
Beamline	21-ID-G
Temperature [K]	100
Detector technology	CCD
Collection date	2017-06-26
Detector	MARMOSAIC 300 mm CCD
Wavelength(s)	0.9786
Spacegroup name	C 2 2 21
Unit cell lengths	38.682, 163.850, 98.093
Unit cell angles	90.00, 90.00, 90.00

Refinement procedure

Resolution	41.000 - 1.300
R-factor	0.1318
Rwork	0.131
R-free	0.15380
Structure solution method	MOLECULAR REPLACEMENT
RMSD bond length	0.010
RMSD bond angle	1.591
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]	42.080	1.320
High resolution limit [Å]	1.300	1.300
Rmerge	0.069	0.435
Rmeas	0.076	0.480
Rpim	0.032	0.200
Number of reflections	76329	3682
<I/σ(I)>	12
Completeness [%]	99.1	97.8
Redundancy	5.5	5.5
CC(1/2)	0.996	0.921

Crystallization Conditions

crystal ID	method	pH	temperature	details
1	VAPOR DIFFUSION, HANGING DROP		292	0.2 M Sodium acetate trihydrate 0.1M TRIS hydrochloride 8.5 30% w/v Polyethylene glycol 4,000