6TFS
Structure in P3212 form of the PBP/SBP MoaA in complex with glucopinic 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 PILATUS3 S 6M |
| Wavelength(s) | 1 |
| Spacegroup name | P 32 1 2 |
| Unit cell lengths | 156.230, 156.230, 182.640 |
| Unit cell angles | 90.00, 90.00, 120.00 |
Refinement procedure
| Resolution | 29.150 - 2.000 |
| R-factor | 0.184 |
| Rwork | 0.184 |
| R-free | 0.19400 |
| Structure solution method | MOLECULAR REPLACEMENT |
| Starting model (for MR) | 6tfq |
| RMSD bond length | 0.010 |
| RMSD bond angle | 1.060 |
| 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] | 45.000 | 2.120 |
| High resolution limit [Å] | 2.000 | 2.000 |
| Rmerge | 0.140 | |
| Rpim | 0.035 | 0.607 |
| Number of reflections | 171659 | 26916 |
| <I/σ(I)> | 13.61 | |
| Completeness [%] | 99.5 | |
| Redundancy | 17.4 | |
| CC(1/2) | 0.999 | 0.518 |
Crystallization Conditions
| crystal ID | method | pH | temperature | details |
| 1 | VAPOR DIFFUSION, HANGING DROP | 8 | 292 | 2 M AS, 100 mM Tris-HCl |
