5FES
HydE from T. maritima in complex with (2R,4R)-MeSeTDA
Experimental procedure
| Experimental method | SINGLE WAVELENGTH |
| Source type | SYNCHROTRON |
| Source details | ESRF BEAMLINE BM30A |
| Synchrotron site | ESRF |
| Beamline | BM30A |
| Temperature [K] | 100 |
| Detector technology | CCD |
| Collection date | 2013-11-24 |
| Detector | ADSC QUANTUM 315r |
| Wavelength(s) | 0.980 |
| Spacegroup name | P 21 21 21 |
| Unit cell lengths | 51.070, 79.100, 86.260 |
| Unit cell angles | 90.00, 90.00, 90.00 |
Refinement procedure
| Resolution | 43.950 - 1.270 |
| R-factor | 0.10903 |
| Rwork | 0.108 |
| R-free | 0.13526 |
| Structure solution method | MOLECULAR REPLACEMENT |
| Starting model (for MR) | 3iix |
| RMSD bond length | 0.026 |
| RMSD bond angle | 2.514 |
| Data reduction software | XDS |
| Data scaling software | XDS |
| Phasing software | REFMAC |
| Refinement software | REFMAC (5.8.0131) |
Data quality characteristics
| Overall | Outer shell | |
| Low resolution limit [Å] | 44.000 | 1.350 |
| High resolution limit [Å] | 1.270 | 1.270 |
| Number of reflections | 92271 | |
| <I/σ(I)> | 10.77 | |
| Completeness [%] | 99.1 | |
| Redundancy | 2.9 |
Crystallization Conditions
| crystal ID | method | pH | temperature | details |
| 1 | VAPOR DIFFUSION, HANGING DROP | 293 | PEG4000, Lithium sulfate, CHAPS, TrisHCl |
