6O1Z
Structure of pCW3 conjugation coupling protein TcpA hexagonal 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 | CCD |
| Collection date | 2015-03-12 |
| Detector | ADSC QUANTUM 315r |
| Wavelength(s) | 0.9537 |
| Spacegroup name | P 6 2 2 |
| Unit cell lengths | 108.500, 108.500, 148.990 |
| Unit cell angles | 90.00, 90.00, 120.00 |
Refinement procedure
| Resolution | 46.980 - 3.100 |
| R-factor | 0.201 |
| Rwork | 0.197 |
| R-free | 0.27500 |
| Structure solution method | MOLECULAR REPLACEMENT |
| Starting model (for MR) | 6o1x |
| RMSD bond length | 0.010 |
| RMSD bond angle | 1.280 |
| Data reduction software | XDS |
| Data scaling software | SCALA (3.3.21) |
| Phasing software | PHASER |
| Refinement software | BUSTER (2.10.3) |
Data quality characteristics
| Overall | Inner shell | Outer shell | |
| Low resolution limit [Å] | 46.980 | 46.980 | 3.310 |
| High resolution limit [Å] | 3.100 | 8.770 | 3.100 |
| Rmerge | 0.137 | 0.042 | 1.137 |
| Rmeas | 0.143 | 0.044 | 1.180 |
| Rpim | 0.038 | 0.012 | 0.310 |
| Total number of observations | 138765 | 6208 | 25116 |
| Number of reflections | 9949 | 513 | 1745 |
| <I/σ(I)> | 13.7 | 40.6 | 2.6 |
| Completeness [%] | 100.0 | 99.1 | 100 |
| Redundancy | 13.9 | 12.1 | 14.4 |
| CC(1/2) | 0.999 | 0.999 | 0.886 |
Crystallization Conditions
| crystal ID | method | pH | temperature | details |
| 1 | VAPOR DIFFUSION, HANGING DROP | 5.5 | 293 | 25 % (w/v) PEG 3350, 0.1 M NaCitrate pH 5.5 |
