6NXW

Crystal structure of Arabidopsis thaliana cytosolic triosephosphate isomerase C218S 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	RAYONIX MX300HE
Wavelength(s)	0.9787
Spacegroup name	P 65
Unit cell lengths	94.351, 94.351, 204.218
Unit cell angles	90.00, 90.00, 120.00

Refinement procedure

Resolution	75.980 - 1.950
R-factor	0.1606
Rwork	0.160
R-free	0.18030
RMSD bond length	0.005
RMSD bond angle	1.279
Data reduction software	xia2
Data scaling software	Aimless (0.7.2)
Phasing software	PHASER
Refinement software	REFMAC (5.8.0238)

Data quality characteristics

	Overall	Outer shell
Low resolution limit [Å]	75.980	1.990
High resolution limit [Å]	1.950	1.950
Rmerge	0.048	0.169
Rmeas	0.052	0.194
Rpim	0.021	0.095
Number of reflections	74675	4584
<I/σ(I)>	21.2
Completeness [%]	99.9	99.3
Redundancy	5.9	4
CC(1/2)	0.999	0.952

Crystallization Conditions

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