6Q8X
Respiratory complex I from Thermus thermophilus with bound Pyridaben.
Experimental procedure
| Experimental method | SINGLE WAVELENGTH |
| Source type | SYNCHROTRON |
| Source details | DIAMOND BEAMLINE I03 |
| Synchrotron site | Diamond |
| Beamline | I03 |
| Temperature [K] | 100 |
| Detector technology | PIXEL |
| Collection date | 2013-09-29 |
| Detector | DECTRIS PILATUS 6M |
| Wavelength(s) | 0.900 |
| Spacegroup name | P 1 21 1 |
| Unit cell lengths | 95.190, 338.640, 263.230 |
| Unit cell angles | 90.00, 100.41, 90.00 |
Refinement procedure
| Resolution | 58.410 - 3.508 |
| R-factor | 0.2185 |
| Rwork | 0.215 |
| R-free | 0.23160 |
| Structure solution method | MOLECULAR REPLACEMENT |
| Starting model (for MR) | 4hea |
| RMSD bond length | 0.005 |
| RMSD bond angle | 0.848 |
| Data reduction software | XDS |
| Data scaling software | XSCALE |
| Phasing software | PHASER |
| Refinement software | PHENIX ((1.13rc1_2961: ???)) |
Data quality characteristics
| Overall | Outer shell | |
| Low resolution limit [Å] | 58.410 | 3.690 |
| High resolution limit [Å] | 3.500 | 3.500 |
| Rmerge | 0.157 | 2.364 |
| Rpim | 0.121 | 1.823 |
| Number of reflections | 195828 | 27050 |
| <I/σ(I)> | 5 | 0.6 |
| Completeness [%] | 95.5 | 90.6 |
| Redundancy | 2.3 | 2.1 |
Crystallization Conditions
| crystal ID | method | pH | temperature | details |
| 1 | VAPOR DIFFUSION, SITTING DROP | 6 | 296 | 100 mM Bis-Tris pH 6.0, 21% (w/v) PEG 4000, 100 mM KCl, 100 mM glutaric acid and 1.02 mM octyl-maltoside fluorinated |
