3T5V
Sac3:Thp1:Sem1 complex
Experimental procedure
| Experimental method | SINGLE WAVELENGTH |
| Source type | SYNCHROTRON |
| Source details | DIAMOND BEAMLINE I02 |
| Synchrotron site | Diamond |
| Beamline | I02 |
| Temperature [K] | 100 |
| Detector technology | CCD |
| Collection date | 2011-02-13 |
| Detector | ADSC QUANTUM 315r |
| Wavelength(s) | 0.9795 |
| Spacegroup name | P 41 2 2 |
| Unit cell lengths | 164.770, 164.770, 276.790 |
| Unit cell angles | 90.00, 90.00, 90.00 |
Refinement procedure
| Resolution | 20.000 - 2.900 |
| R-factor | 0.2095 |
| Rwork | 0.208 |
| R-free | 0.23089 |
| Structure solution method | SAD |
| RMSD bond length | 0.011 |
| RMSD bond angle | 0.908 |
| Data reduction software | MOSFLM |
| Data scaling software | SCALA |
| Phasing software | SHARP |
| Refinement software | REFMAC (5.6.0116) |
Data quality characteristics
| Overall | Outer shell | |
| Low resolution limit [Å] | 20.000 | 3.060 |
| High resolution limit [Å] | 2.900 | 2.900 |
| Rmerge | 0.164 | |
| Number of reflections | 84626 | |
| <I/σ(I)> | 7.4 | 1.9 |
| Completeness [%] | 99.7 | 100 |
| Redundancy | 7 | 7 |
Crystallization Conditions
| crystal ID | method | pH | temperature | details |
| 1 | VAPOR DIFFUSION, HANGING DROP | 5.2 | 292 | see publication, pH 5.2, VAPOR DIFFUSION, HANGING DROP, temperature 292K |
