6FMR
IMISX-EP of Se-PepTSt
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 | 2015-09-07 |
Detector | DECTRIS EIGER X 16M |
Wavelength(s) | 0.97854 |
Spacegroup name | C 2 2 21 |
Unit cell lengths | 103.680, 110.890, 110.380 |
Unit cell angles | 90.00, 90.00, 90.00 |
Refinement procedure
Resolution | 49.540 - 2.700 |
R-factor | 0.2279 |
Rwork | 0.227 |
R-free | 0.25380 |
Structure solution method | SAD |
Data reduction software | XDS |
Data scaling software | XSCALE |
Phasing software | SHELXCD |
Refinement software | PHENIX |
Data quality characteristics
Overall | Outer shell | |
Low resolution limit [Å] | 49.540 | 2.770 |
High resolution limit [Å] | 2.700 | 2.700 |
Rmeas | 0.440 | 3.690 |
Number of reflections | 33746 | 2460 |
<I/σ(I)> | 8.9 | 1.74 |
Completeness [%] | 100.0 | 100 |
Redundancy | 25.4 | 23.8 |
CC(1/2) | 0.990 | 0.450 |
Crystallization Conditions
crystal ID | method | pH | temperature | details |
1 | LIPIDIC CUBIC PHASE | 7 | 293 | 22 %(v/v) PEG- 400, 325 mM ammonium dihydrogen phosphate, 100 mM HEPES, pH 7.0, and 10 mM cefadroxil |