3ESY
E16KE61K Flavodoxin from Anabaena
Experimental procedure
| Experimental method | SINGLE WAVELENGTH |
| Source type | ROTATING ANODE |
| Source details | BRUKER AXS MICROSTAR |
| Temperature [K] | 120 |
| Detector technology | CCD |
| Collection date | 2007-12-15 |
| Detector | Nonius Kappa CCD |
| Wavelength(s) | 1.5418 |
| Spacegroup name | P 21 21 21 |
| Unit cell lengths | 73.287, 74.823, 109.144 |
| Unit cell angles | 90.00, 90.00, 90.00 |
Refinement procedure
| Resolution | 22.720 - 2.390 |
| R-factor | 0.19096 |
| Rwork | 0.186 |
| R-free | 0.25043 |
| Structure solution method | MOLECULAR REPLACEMENT |
| Starting model (for MR) | 1flv |
| RMSD bond length | 0.013 |
| RMSD bond angle | 1.496 |
| Data reduction software | HKL-2000 |
| Data scaling software | HKL-2000 |
| Phasing software | CNS |
| Refinement software | CNS |
Data quality characteristics
| Overall | Outer shell | |
| Low resolution limit [Å] | 47.200 | 2.480 |
| High resolution limit [Å] | 2.390 | 2.390 |
| Rmerge | 0.078 | 0.387 |
| Number of reflections | 22468 | |
| Completeness [%] | 99.9 | 99.2 |
| Redundancy | 7.8 | 4.8 |
Crystallization Conditions
| crystal ID | method | pH | temperature | details |
| 1 | VAPOR DIFFUSION, HANGING DROP | 8.5 | 291 | 32% PEG 4000, 0.2-0.3M magnesium chloride, 0.1M Tris/HCl pH 8.5, VAPOR DIFFUSION, HANGING DROP, temperature 291K |
