1E39
Flavocytochrome C3 from Shewanella frigidimarina histidine 365 mutated to alanine
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 | 1999-10-09 |
| Detector | ADSC CCD |
| Spacegroup name | P 1 21 1 |
| Unit cell lengths | 45.571, 92.172, 78.489 |
| Unit cell angles | 90.00, 91.08, 90.00 |
Refinement procedure
| Resolution | 18.000 - 1.800 |
| R-factor | 0.1814 |
| R-free | 0.24700 |
| Structure solution method | MOLECULAR REPLACEMENT |
| Starting model (for MR) | 1qjd |
| RMSD bond length | 0.007 |
| RMSD bond angle | 0.022 |
| Data reduction software | DENZO |
| Data scaling software | SCALEPACK |
| Phasing software | SHELXL-97 |
| Refinement software | SHELXL-97 |
Data quality characteristics
| Overall | Outer shell | |
| Low resolution limit [Å] | 24.000 * | 1.830 |
| High resolution limit [Å] | 1.800 | 1.800 |
| Rmerge | 0.049 | 0.117 |
| Total number of observations | 265858 * | |
| Number of reflections | 54314 | |
| <I/σ(I)> | 19.01 | 7.14 |
| Completeness [%] | 90.7 | 74.9 |
| Redundancy | 2.699 | 1.97 |
Crystallization Conditions
| crystal ID | method | pH | temperature | details |
| 1 | VAPOR DIFFUSION, HANGING DROP | 8.4 | 4 * | HANGING DROP, 50-100MM TRIS-HCL PH 7.4, 80MM NACL, 17-20% PEG 8000, 10MM FUMARATE |
Crystallization Reagents in Literatures
| ID | crystal ID | solution | reagent name | concentration (unit) | details |
| 1 | 1 | reservoir | Tris-HCl | 100 (mM) | |
| 2 | 1 | reservoir | 80 (mM) | ||
| 3 | 1 | reservoir | PEG8000 | 17-20 (%) | |
| 4 | 1 | reservoir | fumarate | 10 (mM) | |
| 5 | 1 | drop | protain | 6 (mg/ml) | |
| 6 | 1 | drop | Tris-HCl | 10 (mM) |
