6O1X
Structure of pCW3 conjugation coupling protein TcpA monomer form with ATPgS
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) | 0.9737 |
| Spacegroup name | P 21 21 21 |
| Unit cell lengths | 48.969, 99.495, 139.314 |
| Unit cell angles | 90.00, 90.00, 90.00 |
Refinement procedure
| Resolution | 46.200 - 2.460 |
| R-factor | 0.176 |
| Rwork | 0.173 |
| R-free | 0.23400 |
| Structure solution method | MOLECULAR REPLACEMENT |
| Starting model (for MR) | 6o1w |
| RMSD bond length | 0.010 |
| RMSD bond angle | 1.210 |
| Data reduction software | XDS |
| Data scaling software | Aimless (0.7.1) |
| Phasing software | PHASER |
| Refinement software | BUSTER (2.10.3) |
Data quality characteristics
| Overall | Inner shell | Outer shell | |
| Low resolution limit [Å] | 48.970 | 48.970 | 2.560 |
| High resolution limit [Å] | 2.460 | 8.870 | 2.460 |
| Rmerge | 0.109 | 0.040 | 0.812 |
| Rmeas | 0.115 | 0.043 | 0.862 |
| Rpim | 0.038 | 0.015 | 0.285 |
| Total number of observations | 228939 | 5086 | 24873 |
| Number of reflections | 25446 | 628 | 2794 |
| <I/σ(I)> | 13 | 32.3 | 2.9 |
| Completeness [%] | 99.8 | 99.4 | 98.9 |
| Redundancy | 9 | 8.1 | 8.9 |
| CC(1/2) | 0.998 | 0.999 | 0.868 |
Crystallization Conditions
| crystal ID | method | pH | temperature | details |
| 1 | VAPOR DIFFUSION, HANGING DROP | 5.5 | 293 | 20 % (w/v) PEG 3350, 0.1 M Bis-Tris pH 5.5, 0.2 M NaCl |
