5CK1
selenomethionine BT4246
Experimental procedure
Experimental method | SINGLE WAVELENGTH |
Source type | SYNCHROTRON |
Source details | APS BEAMLINE 21-ID-G |
Synchrotron site | APS |
Beamline | 21-ID-G |
Temperature [K] | 100 |
Detector technology | CCD |
Collection date | 2013-10-04 |
Detector | MARMOSAIC 300 mm CCD |
Wavelength(s) | 0.979 |
Spacegroup name | C 2 2 21 |
Unit cell lengths | 110.792, 115.738, 116.656 |
Unit cell angles | 90.00, 90.00, 90.00 |
Refinement procedure
Resolution | 31.827 - 1.835 |
R-factor | 0.1682 |
Rwork | 0.167 |
R-free | 0.20130 |
RMSD bond length | 0.006 |
RMSD bond angle | 0.925 |
Data reduction software | HKL-2000 |
Data scaling software | SCALEPACK |
Phasing software | PHENIX |
Refinement software | PHENIX |
Data quality characteristics
Overall | Outer shell | |
Low resolution limit [Å] | 31.830 | 1.901 |
High resolution limit [Å] | 1.835 | 1.835 |
Rmerge | 0.110 | 0.213 |
Number of reflections | 65430 | |
<I/σ(I)> | 37.41 | 13.3 |
Completeness [%] | 99.7 | 98.08 |
Redundancy | 6.8 | 5.6 |
Crystallization Conditions
crystal ID | method | pH | temperature | details |
1 | VAPOR DIFFUSION, HANGING DROP | 298 | PEG3350, KCl, nucleation off of a grain of SiO2. |