7NSF
Triphosphate tunnel metalloenzyme from Sulfolobus acidocaldarius in complex with triphosphate and magnesium
Experimental procedure
Experimental method | SINGLE WAVELENGTH |
Source type | SYNCHROTRON |
Source details | ESRF BEAMLINE ID23-1 |
Synchrotron site | ESRF |
Beamline | ID23-1 |
Temperature [K] | 100 |
Detector technology | PIXEL |
Collection date | 2018-12-06 |
Detector | DECTRIS PILATUS 6M-F |
Wavelength(s) | 0.972 |
Spacegroup name | P 41 21 2 |
Unit cell lengths | 61.029, 61.029, 136.619 |
Unit cell angles | 90.00, 90.00, 90.00 |
Refinement procedure
Resolution | 43.150 - 2.000 |
R-factor | 0.2082 |
Rwork | 0.206 |
R-free | 0.23910 |
Structure solution method | MOLECULAR REPLACEMENT |
Starting model (for MR) | 7ns9 |
RMSD bond length | 0.009 |
RMSD bond angle | 1.160 |
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] | 43.150 | 2.071 |
High resolution limit [Å] | 2.000 | 2.000 |
Number of reflections | 18208 | 1778 |
<I/σ(I)> | 17.55 | |
Completeness [%] | 98.9 | |
Redundancy | 2 | |
CC(1/2) | 1.000 | 0.967 |
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 Protein Buffer: 200 mM NaCl, 50 mM Tris, pH 9.0 |