6TFX
Structure in P21 form of the PBP/SBP MoaA in complex with mannopinic acid from A.tumefacien R10
Experimental procedure
| Experimental method | SINGLE WAVELENGTH |
| Source type | SYNCHROTRON |
| Source details | SOLEIL BEAMLINE PROXIMA 2 |
| Synchrotron site | SOLEIL |
| Beamline | PROXIMA 2 |
| Temperature [K] | 100 |
| Detector technology | PIXEL |
| Collection date | 2018-09-06 |
| Detector | DECTRIS EIGER2 X 9M |
| Wavelength(s) | 1 |
| Spacegroup name | P 1 21 1 |
| Unit cell lengths | 63.050, 77.930, 104.040 |
| Unit cell angles | 90.00, 107.46, 90.00 |
Refinement procedure
| Resolution | 47.560 - 1.560 |
| R-factor | 0.164 |
| Rwork | 0.163 |
| R-free | 0.18200 |
| Structure solution method | MOLECULAR REPLACEMENT |
| Starting model (for MR) | 6tfq |
| RMSD bond length | 0.010 |
| RMSD bond angle | 1.070 |
| Data reduction software | XDS |
| Data scaling software | XSCALE |
| Phasing software | PHASER |
| Refinement software | BUSTER (2.10.3) |
Data quality characteristics
| Overall | Outer shell | |
| Low resolution limit [Å] | 47.560 | 1.660 |
| High resolution limit [Å] | 1.560 | 1.560 |
| Rmerge | 0.094 | 0.947 |
| Rpim | 0.040 | |
| Number of reflections | 134434 | 21895 |
| <I/σ(I)> | 9.4 | |
| Completeness [%] | 99.5 | |
| Redundancy | 6.7 | |
| CC(1/2) | 0.998 | 0.646 |
Crystallization Conditions
| crystal ID | method | pH | temperature | details |
| 1 | VAPOR DIFFUSION, HANGING DROP | 6.5 | 292 | PEG 4K, 100 mM MES |
