7NSD
Triphosphate tunnel metalloenzyme from Sulfolobus acidocaldarius in complex with ATP 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 | 60.670, 60.670, 139.350 |
Unit cell angles | 90.00, 90.00, 90.00 |
Refinement procedure
Resolution | 45.750 - 2.190 |
R-factor | 0.225 |
Rwork | 0.224 |
R-free | 0.25310 |
Structure solution method | MOLECULAR REPLACEMENT |
Starting model (for MR) | 7ns9 |
RMSD bond length | 0.010 |
RMSD bond angle | 1.392 |
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] | 45.750 | 2.269 |
High resolution limit [Å] | 2.190 | 2.190 |
Number of reflections | 14072 | 1367 |
<I/σ(I)> | 17.15 | |
Completeness [%] | 100.0 | |
Redundancy | 2 | |
CC(1/2) | 1.000 | 0.861 |
Crystallization Conditions
crystal ID | method | pH | temperature | details |
1 | VAPOR DIFFUSION, SITTING DROP | 277 | Reservoir: 0.2 M Calcium acetate, 0.1 M MES pH 6.0, 20% (w/v) PEG 8000 Protein buffer: 200 mM NaCl, 50 mM Tris, pH 9.0 |