6LU4
Crystal structure of the substrate binding protein from Microbacterium hydrocarbonoxydans complexed with propylparaben
Experimental procedure
| Experimental method | SINGLE WAVELENGTH |
| Source type | SYNCHROTRON |
| Source details | PHOTON FACTORY BEAMLINE BL-5A |
| Synchrotron site | Photon Factory |
| Beamline | BL-5A |
| Temperature [K] | 95 |
| Detector technology | PIXEL |
| Collection date | 2018-11-25 |
| Detector | DECTRIS PILATUS3 S 6M |
| Wavelength(s) | 1.0 |
| Spacegroup name | P 21 21 21 |
| Unit cell lengths | 51.083, 77.170, 121.350 |
| Unit cell angles | 90.00, 90.00, 90.00 |
Refinement procedure
| Resolution | 47.743 - 2.800 |
| Rwork | 0.207 |
| R-free | 0.24700 |
| Structure solution method | MOLECULAR REPLACEMENT |
| Starting model (for MR) | 6lu3 |
| RMSD bond length | 0.004 |
| RMSD bond angle | 1.359 |
| Data reduction software | HKL-2000 |
| Data scaling software | HKL-2000 |
| Phasing software | MOLREP |
| Refinement software | REFMAC (5.8.0258) |
Data quality characteristics
| Overall | Outer shell | |
| Low resolution limit [Å] | 50.000 | 2.850 |
| High resolution limit [Å] | 2.800 | 2.800 |
| Rmerge | 0.152 | 0.413 |
| Number of reflections | 12261 | 593 |
| <I/σ(I)> | 35.4 | 2.2 |
| Completeness [%] | 98.8 | 98.8 |
| Redundancy | 3.2 | 3.3 |
| CC(1/2) | 0.974 | 0.794 |
Crystallization Conditions
| crystal ID | method | pH | temperature | details |
| 1 | VAPOR DIFFUSION, HANGING DROP | 293 | 0.2 M sodium acetate 0.1 M sodium cacodylate, pH 7.5 30% (w/v) PEG 8000 |
