2DTC
Crystal structure of MS0666
Experimental procedure
| Experimental method | MAD |
| Source type | SYNCHROTRON |
| Source details | SPRING-8 BEAMLINE BL26B2 |
| Synchrotron site | SPring-8 |
| Beamline | BL26B2 |
| Temperature [K] | 100 |
| Detector technology | CCD |
| Collection date | 2006-04-20 |
| Detector | RIGAKU JUPITER 210 |
| Wavelength(s) | 0.9700, 0.9790, 0.9794 |
| Spacegroup name | P 1 21 1 |
| Unit cell lengths | 43.680, 61.077, 43.939 |
| Unit cell angles | 90.00, 104.72, 90.00 |
Refinement procedure
| Resolution | 34.750 - 1.700 |
| R-factor | 0.192 |
| Rwork | 0.192 |
| R-free | 0.23400 |
| Structure solution method | MAD |
| RMSD bond length | 0.009 |
| RMSD bond angle | 1.700 |
| Data reduction software | HKL-2000 |
| Data scaling software | HKL-2000 |
| Phasing software | SOLVE |
| Refinement software | CNS (1.1) |
Data quality characteristics
| Overall | Outer shell | |
| Low resolution limit [Å] | 50.000 | 1.760 |
| High resolution limit [Å] | 1.700 | 1.700 |
| Number of reflections | 24140 | |
| <I/σ(I)> | 13.2 | 4.1 |
| Completeness [%] | 98.5 | 97.7 |
| Redundancy | 3.7 | 3.8 |
Crystallization Conditions
| crystal ID | method | pH | temperature | details |
| 1 | VAPOR DIFFUSION, HANGING DROP | 8 | 293 | PEG3350, TRIS, pH 8, VAPOR DIFFUSION, HANGING DROP, temperature 293K |
