1KSS
Crystal Structure of His505Ala Mutant Flavocytochrome c3 from Shewanella frigidimarina
Experimental procedure
| Experimental method | SINGLE WAVELENGTH |
| Source type | SYNCHROTRON |
| Source details | SRS BEAMLINE PX9.6 |
| Synchrotron site | SRS |
| Beamline | PX9.6 |
| Temperature [K] | 100 |
| Detector technology | CCD |
| Collection date | 2001-03-20 |
| Detector | ADSC QUANTUM 4 |
| Wavelength(s) | 0.979 |
| Spacegroup name | P 1 21 1 |
| Unit cell lengths | 45.632, 92.798, 79.056 |
| Unit cell angles | 90.00, 91.02, 90.00 |
Refinement procedure
| Resolution | 20.000 * - 1.800 |
| Rwork | 0.156 |
| R-free | 0.20610 |
| Structure solution method | MOLECULAR REPLACEMENT |
| Starting model (for MR) | 1qjd |
| RMSD bond length | 0.011 |
| RMSD bond angle | 2.200 |
| Data reduction software | DENZO |
| Data scaling software | SCALEPACK |
| Phasing software | AMoRE |
| Refinement software | REFMAC |
Data quality characteristics
| Overall | Outer shell | |
| Low resolution limit [Å] | 20.000 | 1.860 |
| High resolution limit [Å] | 1.800 | 1.800 |
| Rmerge | 0.075 | 0.185 |
| Total number of observations | 318233 * | |
| Number of reflections | 58239 | |
| <I/σ(I)> | 18.5 | 4.9 |
| Completeness [%] | 95.4 | 93.8 |
| Redundancy | 5.46 |
Crystallization Conditions
| crystal ID | method | pH | temperature | details |
| 1 | VAPOR DIFFUSION, HANGING DROP | 8.5 * | 4 * | PEG8000, NaCl, TrisHCl, sodium fumarate, pH 7.5, VAPOR DIFFUSION, HANGING DROP, temperature 277K |
Crystallization Reagents in Literatures
| ID | crystal ID | solution | reagent name | concentration (unit) | details |
| 1 | 1 | reservoir | Tris-HCl | 100 (mM) | pH7.4-8.2 |
| 2 | 1 | reservoir | 80 (mM) | ||
| 3 | 1 | reservoir | PEG8000 | 16-19 (%) | |
| 4 | 1 | reservoir | fumarate | 10 (mM) | |
| 5 | 1 | drop | protein | 6 (mg/ml) | |
| 6 | 1 | drop | Tris-HCl | 10 (mM) | pH8.5 |
