1Q9I
The A251C:S430C double mutant of flavocytochrome c3 from Shewanella frigidimarina
Experimental procedure
| Experimental method | SINGLE WAVELENGTH |
| Source type | SYNCHROTRON |
| Source details | SRS BEAMLINE PX14.2 |
| Synchrotron site | SRS |
| Beamline | PX14.2 |
| Temperature [K] | 100 |
| Detector technology | CCD |
| Collection date | 2003-05-22 |
| Detector | ADSC QUANTUM 4 |
| Wavelength(s) | 0.9750 |
| Spacegroup name | P 1 21 1 |
| Unit cell lengths | 45.290, 91.885, 78.310 |
| Unit cell angles | 90.00, 91.50, 90.00 |
Refinement procedure
| Resolution | 24.000 - 1.600 |
| R-factor | 0.15733 |
| Rwork | 0.155 |
| R-free | 0.19711 |
| Structure solution method | MOLECULAR REPLACEMENT |
| Starting model (for MR) | pdb id 1qjd |
| RMSD bond length | 0.014 |
| RMSD bond angle | 1.489 |
| Data reduction software | DENZO |
| Data scaling software | CCP4 ((TRUNCATE)) |
| Phasing software | AMoRE |
| Refinement software | REFMAC (5.1.24) |
Data quality characteristics
| Overall | Outer shell | |
| Low resolution limit [Å] | 24.000 | 1.660 |
| High resolution limit [Å] | 1.600 | 1.600 |
| Rmerge | 0.058 | 0.345 |
| Number of reflections | 77814 | |
| <I/σ(I)> | 14.31 | 2.34 |
| Completeness [%] | 92.2 | 95.5 |
Crystallization Conditions
| crystal ID | method | pH | temperature | details |
| 1 | VAPOR DIFFUSION, HANGING DROP | 8 | 277 | PEG 8000, TrisHCl, NaCl, fumarate, pH 8.0, VAPOR DIFFUSION, HANGING DROP, temperature 277K |
