5DQQ

Structure, inhibition and regulation of two-pore channel TPC1 from Arabidopsis thaliana

Experimental procedure

Experimental method	SINGLE WAVELENGTH
Source type	SYNCHROTRON
Source details	ALS BEAMLINE 8.3.1
Synchrotron site	ALS
Beamline	8.3.1
Temperature [K]	100
Detector technology	CCD
Collection date	2015-02-24
Detector	ADSC QUANTUM 315r
Wavelength(s)	1, 1.006, 1.25465, 1.3854, 1.75
Spacegroup name	C 2 2 21
Unit cell lengths	88.180, 154.810, 219.770
Unit cell angles	90.00, 90.00, 90.00

Refinement procedure

Resolution	38.703 - 2.872
R-factor	0.299
Rwork	0.297
R-free	0.33940
Structure solution method	MIRAS
RMSD bond length	0.004
RMSD bond angle	0.744
Data reduction software	XDS
Data scaling software	XSCALE
Phasing software	SHARP
Refinement software	PHENIX

Data quality characteristics

	Overall	Inner shell	Outer shell
Low resolution limit [Å]	109.885	20.944	3.000
High resolution limit [Å]	2.700	20.000	2.700
Rmerge	0.156	0.022	0.732
Rmeas	0.156	0.025	7.328
Total number of observations	287001
Number of reflections	21275	9	9056
<I/σ(I)>	10.42	66.29	0.31
Completeness [%]	93.9	7	81.4
Redundancy	7.3		7.3

Crystallization Conditions

crystal ID	method	pH	temperature	details
1	VAPOR DIFFUSION, SITTING DROP	9.3	293	0.1 M glycine, pH 9.3, 50 mM potassium chloride, 1 mM calcium chloride, 35% PEG300
1	VAPOR DIFFUSION, SITTING DROP	9.3	293	0.1 M glycine, pH 9.3, 50 mM potassium chloride, 1 mM calcium chloride, 35% PEG300
1	VAPOR DIFFUSION, SITTING DROP	9.3	293	0.1 M glycine, pH 9.3, 50 mM potassium chloride, 1 mM calcium chloride, 35% PEG300