Experimental procedure
Experimental method | SINGLE WAVELENGTH |
Source type | SYNCHROTRON |
Source details | APS BEAMLINE 24-ID-C |
Synchrotron site | APS |
Beamline | 24-ID-C |
Temperature [K] | 100 |
Detector technology | PIXEL |
Collection date | 2014-12-01 |
Detector | PSI PILATUS 6M |
Wavelength(s) | 0.97890 |
Spacegroup name | P 21 21 21 |
Unit cell lengths | 210.890, 450.120, 620.820 |
Unit cell angles | 90.00, 90.00, 90.00 |
Refinement procedure
Resolution | 49.921 - 3.300 |
R-factor | 0.267434023318 |
Rwork | 0.267 |
R-free | 0.28645 |
Structure solution method | MOLECULAR REPLACEMENT |
Starting model (for MR) | 4y4o |
RMSD bond length | 0.008 |
RMSD bond angle | 0.846 |
Data reduction software | XDS |
Data scaling software | XSCALE |
Refinement software | PHENIX (1.10.1_2155) |
Data quality characteristics
Overall | Inner shell | Outer shell | |
Low resolution limit [Å] | 49.930 | 49.930 | 3.390 |
High resolution limit [Å] | 3.300 | 14.760 | 3.300 |
Rmerge | 0.272 | 0.053 | 2.079 |
Rmeas | 0.301 | 0.058 | 2.319 |
Total number of observations | 4668537 | ||
Number of reflections | 866742 | 9599 | 64001 |
<I/σ(I)> | 5.26 | 19.39 | 0.84 |
Completeness [%] | 98.9 | 91.5 | 99.2 |
CC(1/2) | 0.994 | 0.998 | 0.213 |
Crystallization Conditions
crystal ID | method | pH | temperature | details |
1 | VAPOR DIFFUSION, SITTING DROP | 7 | 293 | 4.9% PEG 20k, 9.8% PEG 200, 0.1M TRIS-ACETATE, 0.2M KSCN, 10mM MAGNESIUM ACETATE |