3LF4
Crystal Structure of Fluorescent Timer Precursor Blue102
Experimental procedure
| Experimental method | SINGLE WAVELENGTH |
| Source type | SYNCHROTRON |
| Source details | APS BEAMLINE 22-ID |
| Synchrotron site | APS |
| Beamline | 22-ID |
| Temperature [K] | 100 |
| Detector technology | CCD |
| Collection date | 2009 |
| Detector | MARMOSAIC 300 mm CCD |
| Spacegroup name | C 1 2 1 |
| Unit cell lengths | 107.368, 42.344, 84.964 |
| Unit cell angles | 90.00, 127.06, 90.00 |
Refinement procedure
| Resolution | 29.896 - 1.808 |
| R-factor | 0.215 |
| Rwork | 0.213 |
| R-free | 0.25700 |
| Structure solution method | MOLECULAR REPLACEMENT |
| RMSD bond length | 0.013 |
| RMSD bond angle | 1.571 |
| Data reduction software | DENZO |
| Data scaling software | SCALEPACK |
| Phasing software | MOLREP |
| Refinement software | PHENIX |
Data quality characteristics
| Overall | Inner shell | Outer shell | |
| Low resolution limit [Å] | 30.000 | 30.000 | 1.870 |
| High resolution limit [Å] | 1.810 | 3.900 | 1.810 |
| Rmerge | 0.063 | 0.037 | 0.418 |
| Number of reflections | 27667 | ||
| <I/σ(I)> | 10.7 | ||
| Completeness [%] | 98.1 | 99.7 | 85.8 |
| Redundancy | 4 | 4 | 3.2 |
Crystallization Conditions
| crystal ID | method | pH | temperature | details |
| 1 | VAPOR DIFFUSION, HANGING DROP | 5 | 293 | 0.1M Citric Acid, 1.0M LiCl, 20% w/v PEG 6000, pH 5.0, VAPOR DIFFUSION, HANGING DROP, temperature 293K |
