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 |