2ISK
BluB bound to flavin anion (charge transfer complex)
Experimental procedure
| Experimental method | SINGLE WAVELENGTH |
| Source type | SYNCHROTRON |
| Source details | ALS BEAMLINE 8.2.2 |
| Synchrotron site | ALS |
| Beamline | 8.2.2 |
| Temperature [K] | 120 |
| Detector technology | CCD |
| Collection date | 2006-06-02 |
| Detector | ADSC QUANTUM 315 |
| Wavelength(s) | 0.9919 |
| Spacegroup name | P 1 21 1 |
| Unit cell lengths | 63.449, 169.872, 90.954 |
| Unit cell angles | 90.00, 89.99, 90.00 |
Refinement procedure
| Resolution | 20.000 - 2.100 |
| R-factor | 0.206 |
| Rwork | 0.203 |
| R-free | 0.25040 |
| Structure solution method | MOLECULAR REPLACEMENT |
| Data reduction software | HKL-2000 |
| Data scaling software | HKL-2000 |
| Phasing software | MOLREP |
| Refinement software | CNS (1.1) |
Data quality characteristics
| Overall | Outer shell | |
| Low resolution limit [Å] | 50.000 | 2.180 |
| High resolution limit [Å] | 2.100 | 2.100 |
| Rmerge | 0.084 | 0.212 |
| Number of reflections | 94174 | |
| <I/σ(I)> | 10.9 | 3.1 |
| Completeness [%] | 84.6 | 82.9 |
| Redundancy | 2.9 | 2.7 |
Crystallization Conditions
| crystal ID | method | pH | temperature | details |
| 1 | VAPOR DIFFUSION, HANGING DROP | 5.6 | 298 | 0.8 M Ammonium Sulfate, 100 mM Citrate soaked in saturated dithionite prior to freezing, pH 5.6, VAPOR DIFFUSION, HANGING DROP, temperature 298K |
