5VOL
Bacint_04212 ferulic acid esterase
Experimental procedure
| Experimental method | SINGLE WAVELENGTH |
| Source type | SYNCHROTRON |
| Source details | APS BEAMLINE 21-ID-F |
| Synchrotron site | APS |
| Beamline | 21-ID-F |
| Temperature [K] | 100 |
| Detector technology | CCD |
| Collection date | 2016-08-06 |
| Detector | MARMOSAIC 225 mm CCD |
| Wavelength(s) | 0.979 |
| Spacegroup name | P 21 21 21 |
| Unit cell lengths | 127.920, 135.790, 172.590 |
| Unit cell angles | 90.00, 90.00, 90.00 |
Refinement procedure
| Resolution | 56.649 - 1.980 |
| R-factor | 0.1687 |
| Rwork | 0.167 |
| R-free | 0.19750 |
| Structure solution method | MOLECULAR REPLACEMENT |
| Starting model (for MR) | in-house SAD model |
| RMSD bond length | 0.007 |
| RMSD bond angle | 0.986 |
| Data reduction software | xia2 |
| Data scaling software | xia2 |
| Phasing software | PHENIX |
| Refinement software | PHENIX (1.9_1692) |
Data quality characteristics
| Overall | Outer shell | |
| Low resolution limit [Å] | 56.650 | 2.051 |
| High resolution limit [Å] | 1.980 | 1.980 |
| Rmerge | 0.080 | 0.745 |
| Number of reflections | 207704 | 20663 |
| <I/σ(I)> | 16.77 | 2.44 |
| Completeness [%] | 99.6 | 99.92 |
| Redundancy | 5.7 | 5.7 |
| CC(1/2) | 0.757 |
Crystallization Conditions
| crystal ID | method | pH | temperature | details |
| 1 | VAPOR DIFFUSION, HANGING DROP | 7.5 | 293 | 0.1 M HEPES sodium pH 7.5, 10 % v/v 2-propanol, 20 % w/v polyethylene glycol 4000 |
