3IPP
crystal structure of sulfur-free YnjE
Experimental procedure
| Experimental method | SINGLE WAVELENGTH |
| Source type | SYNCHROTRON |
| Source details | BESSY BEAMLINE 14.1 |
| Synchrotron site | BESSY |
| Beamline | 14.1 |
| Temperature [K] | 100 |
| Detector technology | CCD |
| Collection date | 2008-10-18 |
| Detector | MARMOSAIC 225 mm CCD |
| Wavelength(s) | 0.9184 |
| Spacegroup name | P 63 2 2 |
| Unit cell lengths | 160.250, 160.250, 170.821 |
| Unit cell angles | 90.00, 90.00, 120.00 |
Refinement procedure
| Resolution | 46.410 - 2.400 |
| R-factor | 0.16715 |
| Rwork | 0.165 |
| R-free | 0.21381 |
| Structure solution method | FOURIER SYNTHESIS |
| RMSD bond length | 0.019 |
| RMSD bond angle | 1.695 |
| Data reduction software | MOSFLM |
| Data scaling software | SCALA (3.3.9) |
| Phasing software | REFMAC |
| Refinement software | REFMAC (5.5.0072) |
Data quality characteristics
| Overall | Outer shell | |
| Low resolution limit [Å] | 46.414 | 2.530 |
| High resolution limit [Å] | 2.400 | 2.400 |
| Rmerge | 0.536 | |
| Number of reflections | 51064 | |
| <I/σ(I)> | 20.9 | 5.3 |
| Completeness [%] | 100.0 | 100 |
| Redundancy | 14.6 | 14.6 |
Crystallization Conditions
| crystal ID | method | pH | temperature | details |
| 1 | VAPOR DIFFUSION, HANGING DROP | 5.6 | 298 | 17-21% PEG 4000, 0.1 M sodium phosphate citrate, pH 5.6, VAPOR DIFFUSION, HANGING DROP, temperature 298K |
