6NXX

Crystal structure of Arabidopsis thaliana cytosolic triosephosphate isomerase C218K 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)	0.9787
Spacegroup name	P 21 21 21
Unit cell lengths	67.410, 92.560, 97.170
Unit cell angles	90.00, 90.00, 90.00

Refinement procedure

Resolution	67.020 - 1.640
R-factor	0.1819
Rwork	0.181
R-free	0.20550
Structure solution method	MOLECULAR REPLACEMENT
Starting model (for MR)	4obt
RMSD bond length	0.005
RMSD bond angle	0.720
Data reduction software	HKL-2000
Data scaling software	SCALA
Phasing software	PHENIX
Refinement software	PHENIX

Data quality characteristics

	Overall	Outer shell
Low resolution limit [Å]	67.410	1.660
High resolution limit [Å]	1.640	1.640
Number of reflections	75395
<I/σ(I)>	17.2
Completeness [%]	99.7
Redundancy	9.5

Crystallization Conditions

crystal ID	method	pH	temperature	details
1	VAPOR DIFFUSION, HANGING DROP		292	0.03 M Diethylene glycol; 0.03 M Triethylene glycol; 0.03 M Tetraethylene glycol; 0.03 M Pentaethyleneglycol, 0.1 M HEPES/MOPS pH 7.5, 12.5 % v/v MPD; 12.5 % PEG 1000; 12.5 % w/v PEG 3350