1RTW
X-ray Structure of PF1337, a TenA Homologue from Pyrococcus furiosus. Northeast Structural Genomics Research Consortium (Nesg) Target PFR34
Experimental procedure
| Experimental method | MAD |
| Source type | SYNCHROTRON |
| Source details | NSLS BEAMLINE X12C |
| Synchrotron site | NSLS |
| Beamline | X12C |
| Temperature [K] | 100 |
| Detector technology | CCD |
| Collection date | 2003-09-12 |
| Detector | BRANDEIS - B4 |
| Wavelength(s) | 0.979, 0.9794, 0.95 |
| Spacegroup name | P 21 21 2 |
| Unit cell lengths | 101.800, 123.650, 77.470 |
| Unit cell angles | 90.00, 90.00, 90.00 |
Refinement procedure
| Resolution | 20.000 - 2.350 |
| Rwork | 0.240 |
| R-free | 0.28000 * |
| Structure solution method | MAD |
| RMSD bond length | 0.007 * |
| RMSD bond angle | 1.100 * |
| Data reduction software | HKL-2000 |
| Data scaling software | SCALEPACK |
| Phasing software | SOLVE |
| Refinement software | CNS |
Data quality characteristics
| Overall | Outer shell | |
| Low resolution limit [Å] | 20.000 * | 2.380 |
| High resolution limit [Å] | 2.350 | 2.350 |
| Rmerge | 0.070 * | 0.330 * |
| Total number of observations | 239958 * | |
| Number of reflections | 73637 * | 6861 * |
| <I/σ(I)> | 18.7 | 3.7 |
| Completeness [%] | 93.5 * | 89.7 * |
| Redundancy | 3.3 * | 3.3 * |
Crystallization Conditions
| crystal ID | method | pH | temperature | details |
| 1 | VAPOR DIFFUSION, HANGING DROP | 8 * | 277 | 20% PEG400, 200mM CaCl2, 50mM cacodylic acid, 1mM DTT, pH 7.5, VAPOR DIFFUSION, HANGING DROP, temperature 277K |
Crystallization Reagents in Literatures
| ID | crystal ID | solution | reagent name | concentration (unit) | details |
| 1 | 1 | reservoir | PEG400 | 20 (%) | |
| 2 | 1 | reservoir | 200 (mM) | ||
| 3 | 1 | reservoir | dithiothreitol | 1 (mM) | |
| 4 | 1 | reservoir | cacodylate | 50 (mM) | pH7.5 |
| 5 | 1 | drop | protein | 8 (mg/ml) | |
| 6 | 1 | drop | Tris | 10 (mM) | |
| 7 | 1 | drop | 100 (mM) | ||
| 8 | 1 | drop | dithiothreitol | 5 (mM) | pH8.0 |
