5CXX
Structure of a CE1 ferulic acid esterase, AmCE1/Fae1A, from Anaeromyces mucronatus in complex with Ferulic acid
Experimental procedure
| Experimental method | SINGLE WAVELENGTH |
| Source type | SYNCHROTRON |
| Source details | CLSI BEAMLINE 08ID-1 |
| Synchrotron site | CLSI |
| Beamline | 08ID-1 |
| Temperature [K] | 100 |
| Detector technology | CCD |
| Collection date | 2014-05-30 |
| Detector | RAYONIX MX-300 |
| Wavelength(s) | 0.9795 |
| Spacegroup name | I 2 2 2 |
| Unit cell lengths | 99.790, 152.650, 154.120 |
| Unit cell angles | 90.00, 90.00, 90.00 |
Refinement procedure
| Resolution | 48.690 - 1.550 |
| R-factor | 0.1423 |
| Rwork | 0.141 |
| R-free | 0.15960 |
| Structure solution method | MOLECULAR REPLACEMENT |
| Starting model (for MR) | 5cxu |
| RMSD bond length | 0.020 |
| RMSD bond angle | 1.753 |
| Data reduction software | XDS |
| Data scaling software | XDS |
| Phasing software | PHENIX |
| Refinement software | PHENIX (1.8.4_1496) |
Data quality characteristics
| Overall | Outer shell | |
| Low resolution limit [Å] | 48.690 | 1.605 |
| High resolution limit [Å] | 1.550 | 1.550 |
| Rmerge | 0.070 | 0.430 |
| Number of reflections | 169434 | |
| <I/σ(I)> | 16.2 | 1.93 |
| Completeness [%] | 100.0 | 100 |
| Redundancy | 7.5 | 7.4 |
Crystallization Conditions
| crystal ID | method | pH | temperature | details |
| 1 | VAPOR DIFFUSION, HANGING DROP | 298 | 200 mM ammonium sulfate, 16% PEG 3350, 16% glycerol |
