2DUK
Crystal structure of MS0616
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 | 2006-03-07 |
| Detector | RIGAKU JUPITER 210 |
| Wavelength(s) | 0.97 |
| Spacegroup name | P 21 21 21 |
| Unit cell lengths | 40.891, 41.448, 189.288 |
| Unit cell angles | 90.00, 90.00, 90.00 |
Refinement procedure
| Resolution | 45.000 - 2.620 |
| R-factor | 0.24871 |
| Rwork | 0.247 |
| R-free | 0.28747 |
| Structure solution method | MOLECULAR REPLACEMENT |
| Starting model (for MR) | 2fvv |
| RMSD bond length | 0.013 |
| RMSD bond angle | 1.513 |
| 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] | 45.000 | 2.690 |
| High resolution limit [Å] | 2.600 | 2.600 |
| Rmerge | 0.181 | 0.379 |
| Number of reflections | 9612 | |
| <I/σ(I)> | 8.46597 | 2.44845 |
| Completeness [%] | 93.2 | 66.62 |
| Redundancy | 4.33854 |
Crystallization Conditions
| crystal ID | method | pH | temperature | details |
| 1 | VAPOR DIFFUSION, HANGING DROP | 7.5 | 293 | 2.0M Ammonium Sulphate, 0.1M Hepes, pH 7.5, VAPOR DIFFUSION, HANGING DROP, temperature 293K |
