6L3O
Crystal strcuture of Feruloyl-CoA hydratase lyase(FCHL) from Pseudomonas putida KT2440
Experimental procedure
| Experimental method | SINGLE WAVELENGTH |
| Source type | SYNCHROTRON |
| Source details | PAL/PLS BEAMLINE 7A (6B, 6C1) |
| Synchrotron site | PAL/PLS |
| Beamline | 7A (6B, 6C1) |
| Temperature [K] | 100 |
| Detector technology | CCD |
| Collection date | 2019-04-05 |
| Detector | ADSC QUANTUM 270 |
| Wavelength(s) | 0.97934 |
| Spacegroup name | H 3 |
| Unit cell lengths | 87.745, 87.745, 198.223 |
| Unit cell angles | 90.00, 90.00, 120.00 |
Refinement procedure
| Resolution | 30.170 - 1.650 |
| R-factor | 0.1763 |
| Rwork | 0.175 |
| R-free | 0.20560 |
| Structure solution method | MOLECULAR REPLACEMENT |
| Starting model (for MR) | 2j5i |
| RMSD bond length | 0.012 |
| RMSD bond angle | 1.777 |
| Data reduction software | HKL-2000 |
| Data scaling software | HKL-2000 |
| Phasing software | MOLREP |
| Refinement software | REFMAC (5.8.0238) |
Data quality characteristics
| Overall | Inner shell | Outer shell | |
| Low resolution limit [Å] | 50.000 | 50.000 | 1.680 |
| High resolution limit [Å] | 1.650 | 4.480 | 1.650 |
| Rmerge | 0.052 | 0.044 | 0.287 |
| Rmeas | 0.058 | 0.050 | 0.330 |
| Rpim | 0.027 | 0.024 | 0.161 |
| Total number of observations | 297935 | ||
| Number of reflections | 68160 | 3359 | 3397 |
| <I/σ(I)> | 12.1 | ||
| Completeness [%] | 99.7 | 98 | 98.4 |
| Redundancy | 4.4 | 4.4 | 3.8 |
| CC(1/2) | 0.995 | 0.946 |
Crystallization Conditions
| crystal ID | method | pH | temperature | details |
| 1 | VAPOR DIFFUSION, HANGING DROP | 4.2 | 293 | Propanediol, PEG3000, Glycerol |
