3UGF
Crystal structure of a 6-SST/6-SFT from Pachysandra terminalis
Experimental procedure
| Experimental method | SINGLE WAVELENGTH |
| Source type | SYNCHROTRON |
| Source details | SLS BEAMLINE X06SA |
| Synchrotron site | SLS |
| Beamline | X06SA |
| Temperature [K] | 100 |
| Detector technology | PIXEL |
| Collection date | 2007-11-17 |
| Detector | PSI PILATUS 6M |
| Wavelength(s) | 0.9787 |
| Spacegroup name | P 21 21 21 |
| Unit cell lengths | 89.080, 125.270, 148.950 |
| Unit cell angles | 90.00, 90.00, 90.00 |
Refinement procedure
| Resolution | 48.450 - 1.700 |
| R-factor | 0.1716 |
| Rwork | 0.171 |
| R-free | 0.18630 |
| Structure solution method | MOLECULAR REPLACEMENT |
| Starting model (for MR) | 2ac1 |
| RMSD bond length | 0.008 |
| RMSD bond angle | 1.114 |
| Data reduction software | XDS |
| Data scaling software | SCALA (3.3.9) |
| Phasing software | MOLREP |
| Refinement software | REFMAC |
Data quality characteristics
| Overall | Inner shell | Outer shell | |
| Low resolution limit [Å] | 95.872 | 49.650 | 1.790 |
| High resolution limit [Å] | 1.700 | 5.380 | 1.700 |
| Rmerge | 0.034 | 0.883 | |
| Total number of observations | 39868 | 176271 | |
| Number of reflections | 182827 | ||
| <I/σ(I)> | 12.7 | 16.7 | |
| Completeness [%] | 99.9 | 99.9 | 100 |
| Redundancy | 6.7 | 6.4 | 6.7 |
Crystallization Conditions
| crystal ID | method | pH | temperature | details |
| 1 | VAPOR DIFFUSION, HANGING DROP | 5.6 | 277 | 0.1M citrate, 0.7M ammonium sulfate, 1M Li-sulfate, pH 5.6, VAPOR DIFFUSION, HANGING DROP, temperature 277K |
