3SS0
Engineered high-affinity halide-binding protein derived from YFP: fluoride complex
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 | 2009-12-17 |
| Detector | MARMOSAIC 300 mm CCD |
| Wavelength(s) | 1.000 |
| Spacegroup name | P 21 21 21 |
| Unit cell lengths | 51.063, 62.975, 69.594 |
| Unit cell angles | 90.00, 90.00, 90.00 |
Refinement procedure
| Resolution | 41.170 - 1.492 |
| R-factor | 0.159 |
| Rwork | 0.157 |
| R-free | 0.19170 |
| Structure solution method | FOURIER SYNTHESIS |
| Starting model (for MR) | 3sry |
| RMSD bond length | 0.008 |
| RMSD bond angle | 1.312 |
| Data reduction software | DENZO |
| Data scaling software | SCALEPACK |
| Phasing software | REFMAC |
| Refinement software | PHENIX (1.7.1_743) |
Data quality characteristics
| Overall | Inner shell | Outer shell | |
| Low resolution limit [Å] | 41.170 | 50.000 | 1.520 |
| High resolution limit [Å] | 1.492 | 4.040 | 1.490 |
| Rmerge | 0.067 | 0.038 | 0.487 |
| Number of reflections | 36123 | ||
| <I/σ(I)> | 15.9 | ||
| Completeness [%] | 97.2 | 97.1 | 96.2 |
| Redundancy | 3.6 | 3.6 | 3.3 |
Crystallization Conditions
| crystal ID | method | pH | temperature | details |
| 1 | VAPOR DIFFUSION, HANGING DROP | 5.6 | 290 | 17% PEG3000, 100 mM sodium acetate, 90 mM magnesium chloride, pH 5.6, VAPOR DIFFUSION, HANGING DROP, temperature 290K |
