4FFR
SeMet-labeled PylC (remote)
Experimental procedure
| Experimental method | MAD |
| Source type | SYNCHROTRON |
| Source details | SLS BEAMLINE X06SA |
| Synchrotron site | SLS |
| Beamline | X06SA |
| Temperature [K] | 100 |
| Detector technology | PIXEL |
| Collection date | 2012-02-25 |
| Detector | PSI PILATUS 6M |
| Wavelength(s) | 1.0, 2.0 |
| Spacegroup name | P 43 21 2 |
| Unit cell lengths | 61.830, 61.830, 171.950 |
| Unit cell angles | 90.00, 90.00, 90.00 |
Refinement procedure
| Resolution | 10.000 - 1.800 |
| R-factor | 0.17302 |
| Rwork | 0.171 |
| R-free | 0.20146 |
| Structure solution method | MAD |
| Starting model (for MR) | Experimental phase determination by data collection at the Se edge (2.0 A resolution; the deposited mtz file is from the remote wavelength at 1.0 A resolution) |
| RMSD bond length | 0.006 |
| RMSD bond angle | 1.265 |
| Data reduction software | XDS |
| Data scaling software | XDS |
| Phasing software | REFMAC |
| Refinement software | REFMAC |
Data quality characteristics
| Overall | Outer shell | |
| Low resolution limit [Å] | 30.000 | 1.900 |
| High resolution limit [Å] | 1.800 | 1.800 |
| Rmerge | 0.058 | 0.512 |
| <I/σ(I)> | 15.7 | 3.6 |
| Completeness [%] | 99.0 | 96 |
Crystallization Conditions
| crystal ID | method | pH | temperature | details |
| 1 | VAPOR DIFFUSION, SITTING DROP | 6.5 | 293 | 0.1M MES; 200mM MgCl2, 25% PEG4000 , pH 6.5, VAPOR DIFFUSION, SITTING DROP, temperature 293K |
