1PKH
STRUCTURAL BASIS FOR RECOGNITION AND CATALYSIS BY THE BIFUNCTIONAL DCTP DEAMINASE AND DUTPASE FROM METHANOCOCCUS JANNASCHII
Experimental procedure
| Experimental method | MAD |
| Source type | SYNCHROTRON |
| Source details | SSRL BEAMLINE BL11-1 |
| Synchrotron site | SSRL |
| Beamline | BL11-1 |
| Temperature [K] | 100 |
| Detector technology | CCD |
| Collection date | 2002-12-16 |
| Detector | ADSC QUANTUM 315 |
| Wavelength(s) | 0.9800 |
| Spacegroup name | P 21 3 |
| Unit cell lengths | 110.700, 110.700, 110.700 |
| Unit cell angles | 90.00, 90.00, 90.00 |
Refinement procedure
| Resolution | 45.000 - 1.420 |
| R-factor | 0.186 |
| Rwork | 0.185 |
| R-free | 0.22000 * |
| Structure solution method | MAD |
| RMSD bond length | 0.011 |
| RMSD bond angle | 0.028 |
| Data reduction software | DENZO |
| Data scaling software | SCALEPACK |
| Phasing software | SHELX |
| Refinement software | SHELXL-97 |
Data quality characteristics
| Overall | Outer shell | |
| Low resolution limit [Å] | 45.000 | 1.470 |
| High resolution limit [Å] | 1.420 | 1.420 |
| Rmerge | 0.048 | 0.358 |
| Total number of observations | 655273 * | |
| Number of reflections | 84993 | |
| <I/σ(I)> | 56.3 | 7.5 |
| Completeness [%] | 99.8 | 100 |
| Redundancy | 7.7 |
Crystallization Conditions
| crystal ID | method | pH | temperature | details |
| 1 | VAPOR DIFFUSION, HANGING DROP | 7.2 * | 293 | nanopure water, pH 7, VAPOR DIFFUSION, HANGING DROP, temperature 293K |
Crystallization Reagents in Literatures
| ID | crystal ID | solution | reagent name | concentration (unit) | details |
| 1 | 1 | drop | protein | 10-20 (mg/ml) | |
| 2 | 1 | reservoir | 150 (mM) | ||
| 3 | 1 | reservoir | dithiothreitol | 2 (mM) | |
| 4 | 1 | reservoir | sodium HEPES | 50 (mM) | pH7.2 |
