4F3C
Crystal structure of 5'-methylthioadenosine/S-adenosylhomocysteine nucleosidase from Salmonella enterica with butyl-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 | 2012-02-09 |
| Detector | ADSC QUANTUM 315r |
| Wavelength(s) | 1.075 |
| Spacegroup name | P 1 21 1 |
| Unit cell lengths | 68.050, 46.610, 70.940 |
| Unit cell angles | 90.00, 114.78, 90.00 |
Refinement procedure
| Resolution | 37.460 - 1.930 |
| R-factor | 0.18782 |
| Rwork | 0.185 |
| R-free | 0.23270 |
| Structure solution method | MOLECULAR REPLACEMENT |
| RMSD bond length | 0.009 |
| RMSD bond angle | 1.385 |
| 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] | 64.410 | 2.030 |
| High resolution limit [Å] | 1.930 | 1.930 |
| Rmerge | 0.069 | 0.253 |
| Number of reflections | 30569 | |
| <I/σ(I)> | 11.7 | 4.2 |
| Completeness [%] | 99.7 | 99.4 |
| Redundancy | 4 | 3.9 |
Crystallization Conditions
| crystal ID | method | pH | temperature | details |
| 1 | VAPOR DIFFUSION, SITTING DROP | 7.5 | 293 | 20% PEG 3350, 0.2M lithium acetate, pH 7.5, VAPOR DIFFUSION, SITTING DROP, temperature 293K |
