2AFA
Crystal Structure of putative NAG isomerase from Salmonella typhimurium
Experimental procedure
| Experimental method | SINGLE WAVELENGTH |
| Source type | SYNCHROTRON |
| Source details | NSLS BEAMLINE X25 |
| Synchrotron site | NSLS |
| Beamline | X25 |
| Temperature [K] | 100 |
| Detector technology | CCD |
| Collection date | 2004-10-19 |
| Detector | ADSC QUANTUM 315 |
| Wavelength(s) | 0.979 |
| Spacegroup name | P 1 |
| Unit cell lengths | 88.933, 91.140, 95.102 |
| Unit cell angles | 106.81, 103.52, 111.79 |
Refinement procedure
| Resolution | 45.770 - 2.150 |
| R-factor | 0.207 |
| Rwork | 0.207 |
| R-free | 0.24600 |
| Structure solution method | SAD |
| RMSD bond length | 0.006 |
| RMSD bond angle | 1.300 |
| Data scaling software | HKL-2000 |
| Phasing software | SHELXD |
| Refinement software | CNS (1.1) |
Data quality characteristics
| Overall | Outer shell | |
| Low resolution limit [Å] | 50.000 | 2.230 |
| High resolution limit [Å] | 2.150 | 2.150 |
| Rmerge | 0.080 | 0.750 |
| Number of reflections | 132272 | |
| <I/σ(I)> | 12 | |
| Completeness [%] | 100.0 | 100 |
| Redundancy | 7.4 | 6.8 |
Crystallization Conditions
| crystal ID | method | pH | temperature | details |
| 1 | VAPOR DIFFUSION, SITTING DROP | 6 | 273 | PEG, sodium cacodylate, sodium acetate , pH 6.0, VAPOR DIFFUSION, SITTING DROP, temperature 273K |
