5C2F
K428A mutant nuclease domain of the large terminase subunit gp2 of bacterial virus Sf6 with Manganese and beta-thujaplicinol
Experimental procedure
Experimental method | SINGLE WAVELENGTH |
Source type | SYNCHROTRON |
Source details | APS BEAMLINE 23-ID-B |
Synchrotron site | APS |
Beamline | 23-ID-B |
Temperature [K] | 100 |
Detector technology | CCD |
Collection date | 2015-02-20 |
Detector | MARMOSAIC 325 mm CCD |
Wavelength(s) | 1.03361 |
Spacegroup name | P 1 21 1 |
Unit cell lengths | 46.589, 58.418, 53.384 |
Unit cell angles | 90.00, 96.43, 90.00 |
Refinement procedure
Resolution | 19.256 - 1.860 |
R-factor | 0.1702 |
Rwork | 0.168 |
R-free | 0.20780 |
RMSD bond length | 0.007 |
RMSD bond angle | 1.063 |
Data scaling software | Aimless (0.5.1) |
Refinement software | PHENIX ((phenix.refine: 1.8.1_1168)) |
Data quality characteristics
Overall | Inner shell | Outer shell | |
Low resolution limit [Å] | 28.790 | 28.790 | 1.900 |
High resolution limit [Å] | 1.860 | 8.920 | 1.860 |
Rmerge | 0.049 | 0.022 | 0.588 |
Rpim | 0.031 | 0.014 | 0.392 |
Total number of observations | 79416 | 715 | 3994 |
Number of reflections | 22914 | ||
<I/σ(I)> | 17.1 | 51.9 | 2 |
Completeness [%] | 95.4 | 91.1 | 85.2 |
Redundancy | 3.5 | 3.4 | 3.1 |
CC(1/2) | 0.999 | 0.998 | 0.690 |
Crystallization Conditions
crystal ID | method | pH | temperature | details |
1 | VAPOR DIFFUSION, HANGING DROP | 7.5 | 293 | 100mM HEPES, pH7.5, 50mM NaCl, 8% PEG8000 |