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 |