2YVT
Crystal structure of aq_1956
Experimental procedure
| Experimental method | SINGLE WAVELENGTH |
| Source type | SYNCHROTRON |
| Source details | SPRING-8 BEAMLINE BL26B2 |
| Synchrotron site | SPring-8 |
| Beamline | BL26B2 |
| Temperature [K] | 100 |
| Detector technology | CCD |
| Collection date | 2007-03-24 |
| Detector | RIGAKU JUPITER 210 |
| Wavelength(s) | 0.97893 |
| Spacegroup name | P 31 2 1 |
| Unit cell lengths | 72.733, 72.733, 90.873 |
| Unit cell angles | 90.00, 90.00, 120.00 |
Refinement procedure
| Resolution | 19.270 - 1.600 |
| R-factor | 0.17114 |
| Rwork | 0.170 |
| R-free | 0.20189 |
| Structure solution method | MOLECULAR REPLACEMENT |
| Starting model (for MR) | 1uf3 |
| RMSD bond length | 0.008 |
| RMSD bond angle | 1.153 |
| Data reduction software | HKL-2000 |
| Data scaling software | SCALEPACK |
| Phasing software | MOLREP |
| Refinement software | REFMAC (5.2.0019) |
Data quality characteristics
| Overall | Outer shell | |
| Low resolution limit [Å] | 50.000 | 1.660 |
| High resolution limit [Å] | 1.600 | 1.600 |
| Rmerge | 0.039 | 0.148 |
| Number of reflections | 37232 | |
| <I/σ(I)> | 48 | 7.8 |
| Completeness [%] | 99.9 | 99.5 |
| Redundancy | 10 | 6 |
Crystallization Conditions
| crystal ID | method | pH | temperature | details |
| 1 | oil batch | 4.5 | 293 | 30% (w/v) PEG 8000, 0.1M acetate, 0.2M Li Sulfate , pH 4.5, oil batch, temperature 293K |
