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 |