3I3L
Crystal structure of CmlS, a flavin-dependent halogenase
Experimental procedure
| Experimental method | SINGLE WAVELENGTH |
| Source type | SYNCHROTRON |
| Source details | NSLS BEAMLINE X12B |
| Synchrotron site | NSLS |
| Beamline | X12B |
| Temperature [K] | 100 |
| Detector technology | CCD |
| Collection date | 2008-08-02 |
| Detector | ADSC QUANTUM 4 |
| Wavelength(s) | 0.9798 |
| Spacegroup name | C 1 2 1 |
| Unit cell lengths | 208.090, 57.736, 59.883 |
| Unit cell angles | 90.00, 97.47, 90.00 |
Refinement procedure
| Resolution | 30.000 - 2.200 |
| R-factor | 0.20329 |
| Rwork | 0.200 |
| R-free | 0.26056 |
| Structure solution method | SAD |
| RMSD bond length | 0.021 |
| RMSD bond angle | 1.538 |
| Data reduction software | DENZO |
| Data scaling software | SCALEPACK |
| Phasing software | SHARP |
| Refinement software | REFMAC (5.5.0066) |
Data quality characteristics
| Overall | Outer shell | |
| Low resolution limit [Å] | 30.000 | 2.280 |
| High resolution limit [Å] | 2.200 | 2.200 |
| Rmerge | 0.550 | |
| Number of reflections | 36054 | |
| <I/σ(I)> | 35.7 | 4.1 |
| Completeness [%] | 94.8 | |
| Redundancy | 7.2 | 6.5 |
Crystallization Conditions
| crystal ID | method | pH | temperature | details |
| 1 | VAPOR DIFFUSION, HANGING DROP | 7.1 | 293 | 0.1 M Na HEPES, 19% PEG 3350, pH 7.1, VAPOR DIFFUSION, HANGING DROP, temperature 293K |
