1K2E
crystal structure of a nudix protein from Pyrobaculum aerophilum
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 | 2001-03-12 |
| Detector | ADSC QUANTUM 4 |
| Wavelength(s) | 1.1 |
| Spacegroup name | P 21 21 21 |
| Unit cell lengths | 52.712, 72.612, 85.175 |
| Unit cell angles | 90.00, 90.00, 90.00 |
Refinement procedure
| Resolution | 20.000 * - 1.800 |
| R-factor | 0.183 * |
| Rwork | 0.184 |
| R-free | 0.21900 * |
| Structure solution method | MOLECULAR REPLACEMENT |
| Starting model (for MR) | 1k26 same protein solved by SAD with iridium derivative data. |
| RMSD bond length | 0.019 * |
| RMSD bond angle | 1.800 * |
| Data reduction software | DENZO |
| Data scaling software | SCALEPACK |
| Phasing software | AMoRE |
| Refinement software | CNS (1.0) |
Data quality characteristics
| Overall | Outer shell | |
| Low resolution limit [Å] | 100.000 | 1.860 |
| High resolution limit [Å] | 1.800 | 1.800 |
| Rmerge | 0.080 * | 0.443 * |
| Total number of observations | 398012 * | |
| Number of reflections | 30654 | |
| <I/σ(I)> | 18.4 | 3.26 |
| Completeness [%] | 98.8 | 96.4 |
| Redundancy | 4.8 | 4.36 |
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 |
