4F2P
Crystal structure of 5'-methylthioadenosine/S-adenosylhomocysteine nucleosidase from Salmonella enterica with diEtglycol-thio-DADMe-Immucillin-A
Experimental procedure
| Experimental method | SINGLE WAVELENGTH |
| Source type | SYNCHROTRON |
| Source details | NSLS BEAMLINE X29A |
| Synchrotron site | NSLS |
| Beamline | X29A |
| Temperature [K] | 100 |
| Detector technology | CCD |
| Collection date | 2012-03-15 |
| Detector | ADSC QUANTUM 315r |
| Wavelength(s) | 1.075 |
| Spacegroup name | P 21 21 21 |
| Unit cell lengths | 52.410, 70.140, 122.500 |
| Unit cell angles | 90.00, 90.00, 90.00 |
Refinement procedure
| Resolution | 39.850 - 1.640 |
| R-factor | 0.16487 |
| Rwork | 0.163 |
| R-free | 0.19350 |
| Structure solution method | MOLECULAR REPLACEMENT |
| RMSD bond length | 0.010 |
| RMSD bond angle | 1.484 |
| Data reduction software | MOSFLM |
| Data scaling software | SCALA |
| Phasing software | MOLREP |
| Refinement software | REFMAC (5.7.0025) |
Data quality characteristics
| Overall | Outer shell | |
| Low resolution limit [Å] | 61.250 | 1.730 |
| High resolution limit [Å] | 1.640 | 1.640 |
| Rmerge | 0.096 | 0.528 |
| Number of reflections | 55300 | |
| <I/σ(I)> | 10.9 | 2.9 |
| Completeness [%] | 98.7 | 97.2 |
| Redundancy | 7.6 | 7.6 |
Crystallization Conditions
| crystal ID | method | pH | temperature | details |
| 1 | VAPOR DIFFUSION, SITTING DROP | 6.5 | 293 | 27% PEG 3350, 0.2M sodium acetate, 0.1M HEPES, pH 6.5, VAPOR DIFFUSION, SITTING DROP, temperature 293K |
