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 |