7NS9
Triphosphate tunnel metalloenzyme from Sulfolobus acidocaldarius in complex with triphosphate and calcium
Experimental procedure
Experimental method | SINGLE WAVELENGTH |
Source type | SYNCHROTRON |
Source details | ESRF BEAMLINE ID29 |
Synchrotron site | ESRF |
Beamline | ID29 |
Temperature [K] | 100 |
Detector technology | PIXEL |
Collection date | 2017-02-16 |
Detector | DECTRIS PILATUS 6M-F |
Wavelength(s) | 0.979 |
Spacegroup name | P 41 21 2 |
Unit cell lengths | 60.674, 60.674, 141.086 |
Unit cell angles | 90.00, 90.00, 90.00 |
Refinement procedure
Resolution | 46.000 - 1.750 |
R-factor | 0.1909 |
Rwork | 0.189 |
R-free | 0.23540 |
Structure solution method | MOLECULAR REPLACEMENT |
Starting model (for MR) | 2een |
RMSD bond length | 0.008 |
RMSD bond angle | 0.830 |
Data reduction software | XDS |
Data scaling software | Aimless |
Phasing software | PHASER |
Refinement software | PHENIX (1.19.1_4122) |
Data quality characteristics
Overall | Outer shell | |
Low resolution limit [Å] | 46.000 | 1.813 |
High resolution limit [Å] | 1.750 | 1.750 |
Number of reflections | 25885 | 2581 |
<I/σ(I)> | 11.44 | |
Completeness [%] | 94.3 | |
Redundancy | 2 | |
CC(1/2) | 0.999 | 0.352 |
Crystallization Conditions
crystal ID | method | pH | temperature | details |
1 | VAPOR DIFFUSION, SITTING DROP | 277 | Reservoir: 0.2 M NaCl, 0.1 M Na/KPO4 pH 6.2, 20% (w/v) PEG 1000 buffer: 200 mM NaCl, 50 mM Tris, pH 9.0 |