1K26
Structure of a Nudix Protein from Pyrobaculum aerophilum Solved by the Single Wavelength Anomolous Scattering Method
Experimental procedure
| Experimental method | SINGLE WAVELENGTH |
| Source type | SYNCHROTRON |
| Source details | NSLS BEAMLINE X8C |
| Synchrotron site | NSLS |
| Beamline | X8C |
| Temperature [K] | 110 |
| Detector technology | CCD |
| Collection date | 2000-09-16 |
| Detector | ADSC QUANTUM 4 |
| Wavelength(s) | 1.1053 |
| Spacegroup name | P 21 21 21 |
| Unit cell lengths | 52.424, 71.655, 85.762 |
| Unit cell angles | 90.00, 90.00, 90.00 |
Refinement procedure
| Resolution | 20.000 * - 1.850 |
| R-factor | 0.182 * |
| Rwork | 0.183 |
| R-free | 0.21800 * |
| Structure solution method | SAD |
| RMSD bond length | 0.017 * |
| RMSD bond angle | 1.800 * |
| Data reduction software | DENZO |
| Data scaling software | SCALEPACK |
| Phasing software | MLPHARE |
| Refinement software | CNS (1.0) |
Data quality characteristics
| Overall | Outer shell | |
| Low resolution limit [Å] | 100.000 | 1.920 |
| High resolution limit [Å] | 1.850 | 1.850 |
| Rmerge | 0.076 * | 0.470 * |
| Total number of observations | 348337 * | |
| Number of reflections | 25455 | |
| <I/σ(I)> | 18.9 | 3.15 |
| Completeness [%] | 89.3 | 52 |
| Redundancy | 13.7 | 4.25 |
Crystallization Conditions
| crystal ID | method | pH | temperature | details |
| 1 | VAPOR DIFFUSION, HANGING DROP | 8 * | 293 | PEG 4000, ammonium sulfate, sodium acetate, isopropanol, pH 4.8, VAPOR DIFFUSION, HANGING DROP, temperature 293K |
Crystallization Reagents in Literatures
| ID | crystal ID | solution | reagent name | concentration (unit) | details |
| 1 | 1 | drop | Tris | 10 (mM) | |
| 2 | 1 | drop | EDTA | 5 (mM) | pH8.0 |
| 3 | 1 | drop | protein | 10.0 (mg/ml) | |
| 4 | 1 | reservoir | PEG4000 | 5-8 (%) | or PEG2000MME |
| 5 | 1 | reservoir | 2-propanol | 5 (%) | |
| 6 | 1 | reservoir | ammonium sulfate | 50 (mM) | |
| 7 | 1 | reservoir | 100 (mM) | pH4.8 | |
| 8 | 1 | reservoir | 20 (mM) |
