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 |