6Y8G
selenomethionine derivative of ferulic acid esterase (FAE)
This is a non-PDB format compatible entry.
Experimental procedure
| Experimental method | SINGLE WAVELENGTH |
| Source type | SYNCHROTRON |
| Source details | ESRF BEAMLINE MASSIF-3 |
| Synchrotron site | ESRF |
| Beamline | MASSIF-3 |
| Temperature [K] | 100 |
| Detector technology | PIXEL |
| Collection date | 2018-12-05 |
| Detector | DECTRIS EIGER X 4M |
| Wavelength(s) | 0.9679 |
| Spacegroup name | P 21 21 21 |
| Unit cell lengths | 65.519, 108.373, 112.949 |
| Unit cell angles | 90.00, 90.00, 90.00 |
Refinement procedure
| Resolution | 48.903 - 1.800 |
| Rwork | 0.175 |
| R-free | 0.19960 |
| Structure solution method | AB INITIO PHASING |
| RMSD bond length | 0.012 |
| RMSD bond angle | 1.773 |
| Data reduction software | XDS (BUILT20180126) |
| Data scaling software | Aimless (0.7.3) |
| Phasing software | SHELXDE (2013/2) |
| Refinement software | REFMAC (5.8.0258) |
Data quality characteristics
| Overall | Outer shell | |
| Low resolution limit [Å] | 49.000 | 1.840 |
| High resolution limit [Å] | 1.800 | 1.800 |
| Rmeas | 0.117 | 0.979 |
| Rpim | 0.050 | 0.416 |
| Number of reflections | 73998 | 4353 |
| <I/σ(I)> | 11 | 1.7 |
| Completeness [%] | 98.5 | 98.4 |
| Redundancy | 5.2 | 5.3 |
| CC(1/2) | 0.996 | 0.750 |
Crystallization Conditions
| crystal ID | method | pH | temperature | details |
| 1 | VAPOR DIFFUSION, HANGING DROP | 8 | 293 | 20 mM Tris, 1 M sodium acetate, 10 mM Cd acetate, 5% glycerol |
