7Z66

Crystal structure of the tandem kinase & triphosphate tunnel metalloenzyme domain module of the TTM1 protein from Arabidoposis thaliana in complex with inorganic phosphate and citric acid.

This is a non-PDB format compatible entry.

Experimental procedure

Experimental method	SINGLE WAVELENGTH
Source type	SYNCHROTRON
Source details	SLS BEAMLINE X06DA
Synchrotron site	SLS
Beamline	X06DA
Temperature [K]	100
Detector technology	PIXEL
Collection date	2016-12-19
Detector	DECTRIS PILATUS 2M-F
Wavelength(s)	0.991870
Spacegroup name	P 61 2 2
Unit cell lengths	93.712, 93.712, 267.744
Unit cell angles	90.00, 90.00, 120.00

Refinement procedure

Resolution	46.860 - 2.700
R-factor	0.2142
Rwork	0.213
R-free	0.23460
Structure solution method	MAD
RMSD bond length	0.002
RMSD bond angle	0.439
Data reduction software	XDS
Data scaling software	XSCALE
Phasing software	SHELXCD
Refinement software	PHENIX (1.19.2_4158)

Data quality characteristics

	Overall	Outer shell
Low resolution limit [Å]	46.860	2.870
High resolution limit [Å]	2.700	2.700
Rmeas	0.157	2.512
Number of reflections	35969	5749
<I/σ(I)>	14.25
Completeness [%]	99.9	99.3
Redundancy	21.2	21.2
CC(1/2)	0.990	0.584

Crystallization Conditions

crystal ID	method	pH	temperature	details
1	VAPOR DIFFUSION, HANGING DROP	8.5	273	30% PEG 8,000/20% ethylene glycol, 0.1 M carboxylic acids, 0.1 M Tris, pH 8.5, based on Morpheus condition G10