8B23
Time-resolved structure of K+-dependent Na+-PPase from Thermotoga maritima 600-seconds post reaction initiation with Na+
Experimental procedure
Experimental method | SINGLE WAVELENGTH |
Source type | SYNCHROTRON |
Source details | PETRA III, EMBL c/o DESY BEAMLINE P14 (MX2) |
Synchrotron site | PETRA III, EMBL c/o DESY |
Beamline | P14 (MX2) |
Temperature [K] | 100 |
Detector technology | PIXEL |
Collection date | 2019-05-18 |
Detector | DECTRIS EIGER2 X 16M |
Wavelength(s) | 0.976 |
Spacegroup name | P 1 21 1 |
Unit cell lengths | 83.327, 111.552, 106.217 |
Unit cell angles | 90.00, 109.05, 90.00 |
Refinement procedure
Resolution | 100.400 - 3.840 |
R-factor | 0.3357 |
Rwork | 0.334 |
R-free | 0.36340 |
Structure solution method | MOLECULAR REPLACEMENT |
Starting model (for MR) | 5lzq D_1292125586 |
RMSD bond length | 0.003 |
RMSD bond angle | 0.725 |
Data reduction software | XDS |
Data scaling software | STARANISO |
Phasing software | PHASER |
Refinement software | PHENIX (1.20.1_4487) |
Data quality characteristics
Overall | Outer shell | |
Low resolution limit [Å] | 100.400 | 4.170 |
High resolution limit [Å] | 3.840 | 3.840 |
Rmerge | 0.165 | 0.779 |
Number of reflections | 13078 | 654 |
<I/σ(I)> | 4.4 | |
Completeness [%] | 90.7 | |
Redundancy | 6.5 | |
CC(1/2) | 0.965 | 0.646 |
Crystallization Conditions
crystal ID | method | pH | temperature | details |
1 | VAPOR DIFFUSION, SITTING DROP | 8 | 293 | 60 mM Tris-HCl pH 8.0, 26% v/v PEG400, 175 mM KCl, 2.4 mM MgCl2, 2 mM K4PPi, 20 mM NaCl |