2FQY
PnrA from Treponema pallidum complexed with adenosine.
Experimental procedure
| Experimental method | SINGLE WAVELENGTH |
| Source type | SYNCHROTRON |
| Source details | APS BEAMLINE 19-ID |
| Synchrotron site | APS |
| Beamline | 19-ID |
| Temperature [K] | 100 |
| Detector technology | CCD |
| Collection date | 2005-06-15 |
| Detector | ADSC QUANTUM 315 |
| Wavelength(s) | 0.97926 |
| Spacegroup name | P 21 21 21 |
| Unit cell lengths | 55.620, 69.097, 69.656 |
| Unit cell angles | 90.00, 90.00, 90.00 |
Refinement procedure
| Resolution | 49.000 - 1.900 |
| R-factor | 0.187 |
| Rwork | 0.187 |
| R-free | 0.22800 |
| Structure solution method | FOURIER SYNTHESIS |
| Starting model (for MR) | PnrA that was solved with inosine inosine omitted |
| RMSD bond length | 0.012 |
| RMSD bond angle | 1.400 |
| Data reduction software | HKL-2000 |
| Data scaling software | SCALEPACK |
| Phasing software | CNS |
| Refinement software | CNS (1.1) |
Data quality characteristics
| Overall | Outer shell | |
| Low resolution limit [Å] | 49.000 | 1.970 |
| High resolution limit [Å] | 1.900 | 1.900 |
| Rmerge | 0.068 | 0.226 |
| Number of reflections | 21309 | |
| <I/σ(I)> | 19.2 | 3 |
| Completeness [%] | 97.9 | 86.6 |
| Redundancy | 4.1 | 3.2 |
Crystallization Conditions
| crystal ID | method | pH | temperature | details |
| 1 | VAPOR DIFFUSION, HANGING DROP | 4.6 | 293 | 0.2 M ammonium acetate, 0.1 M sodium acetate, 30% (w/v) PEG 4000., pH 4.6, VAPOR DIFFUSION, HANGING DROP, temperature 293K |
