3CIX
X-RAY structure of the [FeFe]-hydrogenase maturase HydE from thermotoga maritima in complex with thiocyanate
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 | 2006-07-12 |
| Detector | ADSC QUANTUM 4 |
| Wavelength(s) | 0.933 |
| Spacegroup name | P 21 21 21 |
| Unit cell lengths | 50.927, 79.728, 86.077 |
| Unit cell angles | 90.00, 90.00, 90.00 |
Refinement procedure
| Resolution | 32.870 - 1.700 |
| R-factor | 0.14834 |
| Rwork | 0.146 |
| R-free | 0.18865 |
| Structure solution method | MOLECULAR REPLACEMENT |
| Starting model (for MR) | 3ciw |
| RMSD bond length | 0.015 |
| RMSD bond angle | 1.746 |
| Data reduction software | MOSFLM |
| Data scaling software | SCALA |
| Refinement software | REFMAC (5.2.0005) |
Data quality characteristics
| Overall | Outer shell | |
| Low resolution limit [Å] | 58.520 | 1.790 |
| High resolution limit [Å] | 1.700 | 1.700 |
| Rmerge | 0.076 | 0.413 |
| Number of reflections | 37499 | |
| <I/σ(I)> | 15.9 | 3.4 |
| Completeness [%] | 95.8 | 77.4 |
| Redundancy | 6.6 | 5.2 |
Crystallization Conditions
| crystal ID | method | pH | temperature | details |
| 1 | VAPOR DIFFUSION, HANGING DROP | 8.5 | 293 | PEG4000 35%, 100mM TrisHCl, pH8.5, 100mM LiSO4, 3mM CHAPS, 20mg/mL Protein, VAPOR DIFFUSION, HANGING DROP, temperature 293K |
