3I9V
Crystal structure of the hydrophilic domain of respiratory complex I from Thermus thermophilus, oxidized, 2 mol/ASU
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 | 2007-12-15 |
| Detector | ADSC QUANTUM 315r |
| Wavelength(s) | 0.97607 |
| Spacegroup name | P 1 21 1 |
| Unit cell lengths | 108.963, 150.514, 216.726 |
| Unit cell angles | 90.00, 92.19, 90.00 |
Refinement procedure
| Resolution | 29.935 - 3.100 |
| R-factor | 0.236 |
| Rwork | 0.235 |
| R-free | 0.28300 |
| Structure solution method | MOLECULAR REPLACEMENT |
| Starting model (for MR) | 2fug |
| RMSD bond length | 0.009 |
| RMSD bond angle | 1.393 |
| Data reduction software | MOSFLM |
| Data scaling software | SCALA |
| Phasing software | PHASER |
| Refinement software | PHENIX |
Data quality characteristics
| Overall | Outer shell | |
| Low resolution limit [Å] | 30.000 | 3.270 |
| High resolution limit [Å] | 3.100 | 3.100 |
| Rmerge | 0.138 | 0.538 |
| Number of reflections | 102553 | |
| <I/σ(I)> | 5.9 | 1.2 |
| Completeness [%] | 82.0 | 84.4 |
| Redundancy | 1.9 | 1.9 |
Crystallization Conditions
| crystal ID | method | pH | temperature | details |
| 1 | VAPOR DIFFUSION, SITTING DROP | 7.5 | 295 | 0.1 M HEPES pH 7.5, 0.4 M NaCl, 0.1 M MnCl2, 6% PEG4000, 2.5% PEG400, 20 mM NAD+, VAPOR DIFFUSION, SITTING DROP, temperature 295K |
