3LM7
Crystal Structure of DUF1341 representative, from Yersinia enterocolitica subsp. enterocolitica 8081
Experimental procedure
| Experimental method | MAD |
| Source type | SYNCHROTRON |
| Source details | APS BEAMLINE 19-BM |
| Synchrotron site | APS |
| Beamline | 19-BM |
| Temperature [K] | 100 |
| Detector technology | CCD |
| Collection date | 2009-11-18 |
| Detector | ADSC QUANTUM 210r |
| Wavelength(s) | 0.97915, 0.97942 |
| Spacegroup name | P 21 21 21 |
| Unit cell lengths | 49.947, 60.453, 159.119 |
| Unit cell angles | 90.00, 90.00, 90.00 |
Refinement procedure
| Resolution | 79.560 - 1.900 |
| R-factor | 0.13789 |
| Rwork | 0.135 |
| R-free | 0.19173 |
| Structure solution method | MAD |
| RMSD bond length | 0.025 |
| RMSD bond angle | 1.858 |
| Data reduction software | HKL-3000 |
| Data scaling software | HKL-3000 |
| Phasing software | HKL-3000 |
| Refinement software | REFMAC (5.5.0102) |
Data quality characteristics
| Overall | Outer shell | |
| Low resolution limit [Å] | 100.000 | 1.950 |
| High resolution limit [Å] | 1.900 | 1.900 |
| Rmerge | 0.065 | 0.272 |
| Number of reflections | 702493 | |
| <I/σ(I)> | 6.4 | |
| Completeness [%] | 93.0 | 95 |
| Redundancy | 9.6 | 5.8 |
Crystallization Conditions
| crystal ID | method | pH | temperature | details |
| 1 | VAPOR DIFFUSION, SITTING DROP | 7.6 | 289 | 0.15M potassium bromide, 30% w/v polyethylene glycol monomethyl ether 2000 (Hampton Index #96), pH 7.60, VAPOR DIFFUSION, SITTING DROP, temperature 289.0K |
