6HBV
Structure of PLP internal aldimine form of Sphingopyxis sp. MTA144 FumI protein
Experimental procedure
| Experimental method | SINGLE WAVELENGTH |
| Source type | SYNCHROTRON |
| Source details | DIAMOND BEAMLINE I04 |
| Synchrotron site | Diamond |
| Beamline | I04 |
| Temperature [K] | 100 |
| Detector technology | PIXEL |
| Collection date | 2017-09-09 |
| Detector | DECTRIS PILATUS 6M |
| Wavelength(s) | 0.98 |
| Spacegroup name | P 1 21 1 |
| Unit cell lengths | 63.254, 103.903, 65.326 |
| Unit cell angles | 90.00, 109.61, 90.00 |
Refinement procedure
| Resolution | 46.910 - 1.650 |
| R-factor | 0.14437 |
| Rwork | 0.143 |
| R-free | 0.17414 |
| Structure solution method | MOLECULAR REPLACEMENT |
| Starting model (for MR) | 3bs8 |
| RMSD bond length | 0.012 |
| RMSD bond angle | 1.560 |
| Data reduction software | XDS |
| Data scaling software | Aimless |
| Phasing software | PHASER |
| Refinement software | REFMAC (5.8.0230) |
Data quality characteristics
| Overall | Outer shell | |
| Low resolution limit [Å] | 46.860 | 1.709 |
| High resolution limit [Å] | 1.650 | 1.650 |
| Rmerge | 0.062 | 0.555 |
| Rmeas | 0.073 | 0.652 |
| Rpim | 0.037 | 0.337 |
| Number of reflections | 95210 | 9539 |
| <I/σ(I)> | 13.95 | 2.19 |
| Completeness [%] | 99.7 | 99.73 |
| Redundancy | 3.7 | 3.6 |
| CC(1/2) | 0.999 | 0.849 |
Crystallization Conditions
| crystal ID | method | pH | temperature | details |
| 1 | VAPOR DIFFUSION, HANGING DROP | 298 | 30 % w/v Polyactulate 2100, sodium salt 0.2 M Ammonium Sulfate 0.1 M Hepes pH 6.0 |
