3IIX
X-ray structure of the FeFe-hydrogenase maturase HydE from T. maritima in complex with methionine and 5'deoxyadenosine
Experimental procedure
| Experimental method | SINGLE WAVELENGTH |
| Source type | SYNCHROTRON |
| Source details | ESRF BEAMLINE ID29 |
| Synchrotron site | ESRF |
| Beamline | ID29 |
| Temperature [K] | 100 |
| Detector technology | CCD |
| Collection date | 2008-05-01 |
| Detector | ADSC QUANTUM 315r |
| Wavelength(s) | 0.976 |
| Spacegroup name | P 21 21 21 |
| Unit cell lengths | 51.054, 78.925, 86.192 |
| Unit cell angles | 90.00, 90.00, 90.00 |
Refinement procedure
| Resolution | 58.220 - 1.250 |
| R-factor | 0.13996 |
| Rwork | 0.139 |
| R-free | 0.16623 |
| Structure solution method | MOLECULAR REPLACEMENT |
| Starting model (for MR) | 3ciw |
| RMSD bond length | 0.012 |
| RMSD bond angle | 1.675 |
| Data reduction software | XDS |
| Data scaling software | XSCALE |
| Refinement software | REFMAC (5.2.0019) |
Data quality characteristics
| Overall | Outer shell | |
| Low resolution limit [Å] | 58.220 | 1.330 |
| High resolution limit [Å] | 1.250 | 1.250 |
| Number of reflections | 88534 | |
| <I/σ(I)> | 14.87 | 2.1 |
| Completeness [%] | 95.1 | 76.8 |
| Redundancy | 3.2 | 1.46 |
Crystallization Conditions
| crystal ID | method | pH | temperature | details |
| 1 | VAPOR DIFFUSION, HANGING DROP | 8.5 | 294 | PEG 4000, LiSO4, TRIS pH 8.5, VAPOR DIFFUSION, HANGING DROP, temperature 294K |
