1XT6
S35C Flavodoxin Mutant in the semiquinone state
Experimental procedure
| Experimental method | SINGLE WAVELENGTH |
| Source type | SYNCHROTRON |
| Source details | ELETTRA BEAMLINE 5.2R |
| Synchrotron site | ELETTRA |
| Beamline | 5.2R |
| Temperature [K] | 100 |
| Detector technology | CCD |
| Collection date | 2003-04-12 |
| Detector | MARRESEARCH |
| Wavelength(s) | 1.0 |
| Spacegroup name | P 43 21 2 |
| Unit cell lengths | 51.080, 51.080, 138.420 |
| Unit cell angles | 90.00, 90.00, 90.00 |
Refinement procedure
| Resolution | 19.990 - 1.800 |
| R-factor | 0.192 |
| Rwork | 0.192 |
| R-free | 0.26100 |
| Structure solution method | MOLECULAR REPLACEMENT |
| RMSD bond length | 0.063 |
| RMSD bond angle | 4.300 |
| Data reduction software | MOSFLM |
| Data scaling software | CCP4 ((SCALA)) |
| Phasing software | CNS |
| Refinement software | CNS (1.1) |
Data quality characteristics
| Overall | Outer shell | |
| Low resolution limit [Å] | 19.400 | 1.910 |
| High resolution limit [Å] | 1.800 | 1.800 |
| Rmerge | 0.067 | |
| Number of reflections | 14037 | |
| Completeness [%] | 99.6 | 99.6 |
| Redundancy | 11.1 |
Crystallization Conditions
| crystal ID | method | pH | temperature | details |
| 1 | sitting drop, vapor diffusion | 7 | 298 | 3.2M ammonium sulfate, pH 7, sitting drop, vapor diffusion, temperature 298K |
Crystallization Reagents
| ID | crystal ID | solution ID | reagent name | concentration | details |
| protein in buffer | 1 | solution | protein in buffer | 6-8 mg/ml |
