3IIZ
X-ray structure of the FeFe-hydrogenase maturase HydE from T. maritima in complex with S-adenosyl-L-methionine
Experimental procedure
| Experimental method | SINGLE WAVELENGTH |
| Source type | SYNCHROTRON |
| Source details | ESRF BEAMLINE ID14-1 |
| Synchrotron site | ESRF |
| Beamline | ID14-1 |
| Temperature [K] | 100 |
| Detector technology | CCD |
| Collection date | 2005-06-20 |
| Detector | ADSC QUANTUM 4 |
| Wavelength(s) | 0.934 |
| Spacegroup name | P 21 21 21 |
| Unit cell lengths | 50.628, 78.780, 85.943 |
| Unit cell angles | 90.00, 90.00, 90.00 |
Refinement procedure
| Resolution | 38.160 - 1.620 |
| R-factor | 0.1399 |
| Rwork | 0.138 |
| R-free | 0.18438 |
| Structure solution method | MOLECULAR REPLACEMENT |
| Starting model (for MR) | 3ciw |
| RMSD bond length | 0.014 |
| RMSD bond angle | 1.749 |
| Data reduction software | XDS |
| Data scaling software | XSCALE |
| Phasing software | REFMAC (5.2.0019) |
| Refinement software | REFMAC (5.2.0019) |
Data quality characteristics
| Overall | Outer shell | |
| Low resolution limit [Å] | 43.000 | 1.720 |
| High resolution limit [Å] | 1.620 | 1.620 |
| Number of reflections | 41143 | |
| <I/σ(I)> | 13.39 | 2.38 |
| Completeness [%] | 93.5 | 72.9 |
| Redundancy | 2.5 | 1.45 |
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 |
