1X1N
Structure determination and refinement at 1.8 A resolution of Disproportionating Enzyme from Potato
Experimental procedure
| Experimental method | SINGLE WAVELENGTH |
| Source type | SYNCHROTRON |
| Source details | PHOTON FACTORY BEAMLINE AR-NW12A |
| Synchrotron site | Photon Factory |
| Beamline | AR-NW12A |
| Temperature [K] | 100 |
| Detector technology | CCD |
| Collection date | 2004-11-26 |
| Detector | ADSC QUANTUM 210 |
| Wavelength(s) | 1.0000 |
| Spacegroup name | C 2 2 21 |
| Unit cell lengths | 69.869, 120.535, 174.382 |
| Unit cell angles | 90.00, 90.00, 90.00 |
Refinement procedure
| Resolution | 87.040 - 1.800 |
| R-factor | 0.1806 |
| Rwork | 0.179 |
| R-free | 0.21002 |
| Structure solution method | MOLECULAR REPLACEMENT |
| Starting model (for MR) | 1WW0 |
| RMSD bond length | 0.010 |
| RMSD bond angle | 1.150 |
| Data reduction software | MOSFLM |
| Data scaling software | CCP4 ((SCALA)) |
| Phasing software | MOLREP |
| Refinement software | REFMAC (5.2.0005) |
Data quality characteristics
| Overall | Outer shell | |
| Low resolution limit [Å] | 87.040 | 1.900 |
| High resolution limit [Å] | 1.800 | 1.800 |
| Rmerge | 0.031 | 0.144 |
| Number of reflections | 61336 | |
| <I/σ(I)> | 11 | |
| Completeness [%] | 89.8 | 55.9 |
| Redundancy | 7 | 5.4 |
Crystallization Conditions
| crystal ID | method | pH | temperature | details |
| 1 | VAPOR DIFFUSION, HANGING DROP | 8 | 277 | PEG 8000, HEPES, calcium chloride, pH 8.0, VAPOR DIFFUSION, HANGING DROP, temperature 277K |
