2YX6
Crystal structure of PH0822
Experimental procedure
| Experimental method | SINGLE WAVELENGTH |
| Source type | SYNCHROTRON |
| Source details | SPRING-8 BEAMLINE BL26B1 |
| Synchrotron site | SPring-8 |
| Beamline | BL26B1 |
| Temperature [K] | 100 |
| Detector technology | CCD |
| Collection date | 2006-10-29 |
| Detector | RIGAKU JUPITER 210 |
| Wavelength(s) | 1.0 |
| Spacegroup name | C 1 2 1 |
| Unit cell lengths | 94.932, 99.877, 48.812 |
| Unit cell angles | 90.00, 112.33, 90.00 |
Refinement procedure
| Resolution | 20.000 - 2.000 |
| R-factor | 0.21666 |
| Rwork | 0.214 |
| R-free | 0.26242 |
| Structure solution method | MOLECULAR REPLACEMENT |
| Starting model (for MR) | 1o13 |
| RMSD bond length | 0.021 |
| RMSD bond angle | 1.871 |
| Data reduction software | HKL-2000 |
| Data scaling software | HKL-2000 |
| Phasing software | CNS |
| Refinement software | REFMAC (5.2.0005) |
Data quality characteristics
| Overall | Outer shell | |
| Low resolution limit [Å] | 20.000 | 2.090 |
| High resolution limit [Å] | 2.000 | 2.000 |
| Rmerge | 0.067 | 0.123 |
| Number of reflections | 21963 | |
| <I/σ(I)> | 15.8657 | 4.51497 |
| Completeness [%] | 77.4 | 40.6 |
| Redundancy | 2.75782 | 1.5 |
Crystallization Conditions
| crystal ID | method | pH | temperature | details |
| 1 | VAPOR DIFFUSION, HANGING DROP | 6.5 | 293 | 20% PEG8000, 0.01M imidazole, 0.01M adenosine-5-triphosphate disodium salt, pH 6.5, VAPOR DIFFUSION, HANGING DROP, temperature 293K |
