3CA8
Crystal structure of Escherichia coli YdcF, an S-adenosyl-L-methionine utilizing enzyme
Experimental procedure
| Experimental method | SINGLE WAVELENGTH |
| Source type | SYNCHROTRON |
| Source details | APS BEAMLINE 17-ID |
| Synchrotron site | APS |
| Beamline | 17-ID |
| Temperature [K] | 100 |
| Detector technology | CCD |
| Collection date | 2005-07-01 |
| Detector | ADSC QUANTUM 210 |
| Wavelength(s) | 1.0000 |
| Spacegroup name | P 1 21 1 |
| Unit cell lengths | 64.795, 39.710, 122.645 |
| Unit cell angles | 90.00, 96.34, 90.00 |
Refinement procedure
| Resolution | 20.000 - 1.800 |
| Rwork | 0.195 |
| R-free | 0.23800 |
| Structure solution method | MAD, MOLECULAR REPLACEMENT |
| Starting model (for MR) | Structure solved by MAD from the data collected in R3 space group then molecular replacement using that model for the native single wavelength data collected in P21 space group |
| RMSD bond length | 0.017 |
| RMSD bond angle | 1.600 |
| Data reduction software | DENZO |
| Data scaling software | SCALEPACK |
| Phasing software | SHELXD |
| Refinement software | REFMAC (5.2.0005) |
Data quality characteristics
| Overall | Outer shell | |
| Low resolution limit [Å] | 50.000 | 1.880 |
| High resolution limit [Å] | 1.800 | 1.800 |
| Rmerge | 0.084 | 0.228 |
| Number of reflections | 54189 | |
| <I/σ(I)> | 10.3 | 2.8 |
| Completeness [%] | 93.1 | 93.9 |
| Redundancy | 3.8 | 3.5 |
Crystallization Conditions
| crystal ID | method | pH | temperature | details |
| 1 | VAPOR DIFFUSION, HANGING DROP | 7.5 | 298 | 0.1 M Hepes, 1.7 M Ammonium sulfate, 4 % MPD, pH 7.5, VAPOR DIFFUSION, HANGING DROP, temperature 298K |
