6TFQ
Structure in P3212 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 1 |
| Synchrotron site | SOLEIL |
| Beamline | PROXIMA 1 |
| Temperature [K] | 100 |
| Detector technology | PIXEL |
| Collection date | 2018-11-30 |
| Detector | DECTRIS EIGER X 16M |
| Wavelength(s) | 1 |
| Spacegroup name | P 32 1 2 |
| Unit cell lengths | 155.980, 155.980, 181.750 |
| Unit cell angles | 90.00, 90.00, 120.00 |
Refinement procedure
| Resolution | 47.840 - 2.050 |
| R-factor | 0.186 |
| Rwork | 0.185 |
| R-free | 0.19900 |
| Structure solution method | SAD |
| RMSD bond length | 0.010 |
| RMSD bond angle | 1.110 |
| Data reduction software | XDS |
| Data scaling software | XSCALE |
| Phasing software | SHELXCD |
| Refinement software | BUSTER (2.10.3) |
Data quality characteristics
| Overall | Outer shell | |
| Low resolution limit [Å] | 47.840 | 2.170 |
| High resolution limit [Å] | 2.050 | 2.050 |
| Rmerge | 0.102 | 1.613 |
| Rpim | 0.029 | 0.426 |
| Number of reflections | 157907 | 25177 |
| <I/σ(I)> | 15.01 | |
| Completeness [%] | 99.9 | |
| Redundancy | 14.36 | |
| CC(1/2) | 0.999 | 0.546 |
Crystallization Conditions
| crystal ID | method | pH | temperature | details |
| 1 | VAPOR DIFFUSION, HANGING DROP | 8 | 292 | 2 M AS, 100 mM Tris-HCl |
