5FF3
HydE from T. maritima in complex with 4R-TCA
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 | 2013-07-12 |
| Detector | ADSC QUANTUM 315r |
| Wavelength(s) | 0.979 |
| Spacegroup name | P 21 21 21 |
| Unit cell lengths | 51.000, 79.190, 86.240 |
| Unit cell angles | 90.00, 90.00, 90.00 |
Refinement procedure
| Resolution | 43.900 - 1.180 |
| R-factor | 0.119 |
| Rwork | 0.118 |
| R-free | 0.14217 |
| Structure solution method | MOLECULAR REPLACEMENT |
| Starting model (for MR) | 3ciw |
| RMSD bond length | 0.025 |
| RMSD bond angle | 2.591 |
| 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 | 1.250 |
| High resolution limit [Å] | 1.180 | 1.180 |
| Number of reflections | 114847 | |
| <I/σ(I)> | 12.65 | 1.79 |
| Completeness [%] | 99.6 | 98.9 |
| Redundancy | 4.5 | 4.3 |
| CC(1/2) | 0.700 |
Crystallization Conditions
| crystal ID | method | pH | temperature | details |
| 1 | VAPOR DIFFUSION, HANGING DROP | 293 | PEG4000, Lithium sulfate, CHAPS, TrisHCl |
