2ISL
BluB bound to reduced flavin (FMNH2) and molecular oxygen. (clear crystal form)
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 | 65.073, 173.836, 91.977 |
| Unit cell angles | 90.00, 89.96, 90.00 |
Refinement procedure
| Resolution | 20.000 - 2.900 |
| R-factor | 0.22 |
| Rwork | 0.217 |
| R-free | 0.28500 |
| 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 | 3.000 |
| High resolution limit [Å] | 2.900 | 2.900 |
| Rmerge | 0.079 | 0.315 |
| Number of reflections | 44966 | |
| <I/σ(I)> | 15.1 | 3.3 |
| Completeness [%] | 100.0 | 100 |
| Redundancy | 3.8 | 3.7 |
Crystallization Conditions
| crystal ID | method | pH | temperature | details |
| 1 | VAPOR DIFFUSION, HANGING DROP | 5.6 | 298 | 0.8 Ammonium Sulfate, 100 mM citrate soaked in saturated dithionite, and then backsoaked in oxygenated mother liquor prior to freezing, pH 5.6, VAPOR DIFFUSION, HANGING DROP, temperature 298K |
