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 |