1KSU
Crystal Structure of His505Tyr Mutant Flavocytochrome c3 from Shewanella frigidimarina
Experimental procedure
| Experimental method | SINGLE WAVELENGTH |
| Source type | SYNCHROTRON |
| Source details | EMBL/DESY, HAMBURG BEAMLINE BW7B |
| Synchrotron site | EMBL/DESY, HAMBURG |
| Beamline | BW7B |
| Temperature [K] | 100 |
| Detector technology | IMAGE PLATE |
| Collection date | 2001-09-07 |
| Detector | MARRESEARCH |
| Wavelength(s) | 0.8459 |
| Spacegroup name | P 1 21 1 |
| Unit cell lengths | 76.989, 87.274, 89.366 |
| Unit cell angles | 90.00, 104.43, 90.00 |
Refinement procedure
| Resolution | 20.000 * - 2.000 |
| Rwork | 0.167 |
| R-free | 0.23860 |
| Structure solution method | MOLECULAR REPLACEMENT |
| Starting model (for MR) | 1qjd |
| RMSD bond length | 0.012 |
| RMSD bond angle | 2.400 * |
| 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 | 2.070 |
| High resolution limit [Å] | 2.000 | 2.000 |
| Rmerge | 0.072 | 0.223 |
| Total number of observations | 536347 * | |
| Number of reflections | 77608 | |
| <I/σ(I)> | 11.3 | 3.32 |
| Completeness [%] | 99.2 | 97.9 |
| Redundancy | 6.9 |
Crystallization Conditions
| crystal ID | method | pH | temperature | details |
| 1 | VAPOR DIFFUSION, HANGING DROP | 8.5 * | 4 * | PEG8000, TrisHCl, NaCl, 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 |
