3IAS
Crystal structure of the hydrophilic domain of respiratory complex I from Thermus thermophilus, oxidized, 4 mol/ASU, re-refined to 3.15 angstrom resolution
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 | 2004-11-07 |
| Detector | ADSC QUANTUM 210 |
| Wavelength(s) | 0.97564 |
| Spacegroup name | P 1 21 1 |
| Unit cell lengths | 135.080, 266.112, 201.731 |
| Unit cell angles | 90.00, 104.71, 90.00 |
Refinement procedure
| Resolution | 29.985 - 3.150 |
| R-factor | 0.238 |
| Rwork | 0.237 |
| R-free | 0.27000 |
| Structure solution method | MOLECULAR REPLACEMENT |
| Starting model (for MR) | 2fug |
| RMSD bond length | 0.008 |
| RMSD bond angle | 1.295 |
| Data reduction software | MOSFLM |
| Data scaling software | SCALA |
| Phasing software | SHARP |
| Refinement software | PHENIX |
Data quality characteristics
| Overall | Outer shell | |
| Low resolution limit [Å] | 30.000 | 3.320 |
| High resolution limit [Å] | 3.150 | 3.150 |
| Rmerge | 0.180 | 0.759 |
| Number of reflections | 218122 | |
| <I/σ(I)> | 6 | 1.2 |
| Completeness [%] | 92.3 | 89 |
| Redundancy | 3.2 | 3 |
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 CaCl2, 8% PEG4000, VAPOR DIFFUSION, SITTING DROP, temperature 295K |
