6O1W
Structure of pCW3 conjugation coupling protein TcpA monomer orthorhombic crystal form
Experimental procedure
Experimental method | SINGLE WAVELENGTH |
Source type | SYNCHROTRON |
Source details | AUSTRALIAN SYNCHROTRON BEAMLINE MX2 |
Synchrotron site | Australian Synchrotron |
Beamline | MX2 |
Temperature [K] | 100 |
Detector technology | PIXEL |
Collection date | 2018-04-24 |
Detector | DECTRIS EIGER X 16M |
Wavelength(s) | 0.9793 |
Spacegroup name | P 21 21 21 |
Unit cell lengths | 53.170, 101.830, 140.040 |
Unit cell angles | 90.00, 90.00, 90.00 |
Refinement procedure
Resolution | 42.430 - 2.200 |
R-factor | 0.182 |
Rwork | 0.179 |
R-free | 0.23000 |
Structure solution method | SAD |
RMSD bond length | 0.010 |
RMSD bond angle | 1.120 |
Data reduction software | XDS |
Data scaling software | Aimless |
Phasing software | SHELX |
Refinement software | BUSTER (2.10.3) |
Data quality characteristics
Overall | Inner shell | Outer shell | |
Low resolution limit [Å] | 47.850 | 47.850 | 2.270 |
High resolution limit [Å] | 2.200 | 9.070 | 2.200 |
Rmerge | 0.120 | 0.065 | 0.831 |
Rmeas | 0.126 | 0.068 | 0.866 |
Rpim | 0.036 | 0.020 | 0.243 |
Total number of observations | 470099 | 6869 | 41427 |
Number of reflections | 39456 | 658 | 3356 |
<I/σ(I)> | 13.6 | 34.1 | 3.3 |
Completeness [%] | 99.9 | 99.6 | 99.7 |
Redundancy | 11.9 | 10.4 | 12.3 |
CC(1/2) | 0.998 | 0.997 | 0.870 |
Crystallization Conditions
crystal ID | method | pH | temperature | details |
1 | VAPOR DIFFUSION | 5.5 | 293 | 20 % (W/V) PEG 3350, 0.1 M Bis-Tris pH 5.5, 0.2 mM NaCl |