4TXV
Crystal structure of the mixed disulfide intermediate between thioredoxin-like TlpAs(C110S) and subunit II of cytochrome c oxidase CoxBPD (C233S)
Experimental procedure
Experimental method | SINGLE WAVELENGTH |
Source type | SYNCHROTRON |
Source details | SLS BEAMLINE X06SA |
Synchrotron site | SLS |
Beamline | X06SA |
Temperature [K] | 77 |
Detector technology | PIXEL |
Collection date | 2013-11-22 |
Detector | DECTRIS PILATUS 6M |
Wavelength(s) | 1 |
Spacegroup name | P 21 21 21 |
Unit cell lengths | 74.830, 81.640, 109.370 |
Unit cell angles | 90.00, 90.00, 90.00 |
Refinement procedure
Resolution | 65.420 - 2.000 |
R-factor | 0.1654 |
Rwork | 0.163 |
R-free | 0.21160 |
Structure solution method | MOLECULAR REPLACEMENT |
Starting model (for MR) | PDB entriues 1JFU and 1m56 |
RMSD bond length | 0.017 |
RMSD bond angle | 1.825 |
Data reduction software | XDS |
Data scaling software | XSCALE |
Phasing software | PHASER |
Refinement software | REFMAC (5.8.0071) |
Data quality characteristics
Overall | Inner shell | Outer shell | |
Low resolution limit [Å] | 50.000 | 2.050 | |
High resolution limit [Å] | 2.000 | 8.940 | 2.000 |
Rmerge | 0.063 | 0.019 | 0.817 |
Rmeas | 0.074 | 0.022 | 0.963 |
Total number of observations | 301989 | ||
Number of reflections | 45680 | 966 | 6323 |
<I/σ(I)> | 13.57 | 54.34 | 1.62 |
Completeness [%] | 98.8 | 98.3 | 96.6 |
Redundancy | 3.48 |
Crystallization Conditions
crystal ID | method | pH | temperature | details |
1 | VAPOR DIFFUSION, SITTING DROP | 6.5 | 292 | 20% PEG2000 MME, 0.8M formic acid/NaOH, 0.1 M Na-cacodylate |