4NCJ
Crystal Structure of Pyrococcus furiosis Rad50 R805E mutation with ADP Beryllium Flouride
Experimental procedure
Experimental method | SINGLE WAVELENGTH |
Source type | SYNCHROTRON |
Source details | SSRL BEAMLINE BL11-1 |
Synchrotron site | SSRL |
Beamline | BL11-1 |
Temperature [K] | 100 |
Detector technology | CCD |
Detector | MARMOSAIC 325 mm CCD |
Wavelength(s) | 0.97945 |
Spacegroup name | P 21 21 21 |
Unit cell lengths | 83.020, 108.482, 148.744 |
Unit cell angles | 90.00, 90.00, 90.00 |
Refinement procedure
Resolution | 45.408 - 2.000 |
R-factor | 0.225 |
Rwork | 0.223 |
R-free | 0.25750 |
Structure solution method | MOLECULAR REPLACEMENT |
RMSD bond length | 0.009 |
RMSD bond angle | 1.249 |
Data reduction software | XDS |
Data scaling software | XSCALE |
Phasing software | MOLREP |
Refinement software | PHENIX (dev_1269) |
Data quality characteristics
Overall | Inner shell | Outer shell | |
Low resolution limit [Å] | 50.000 | 2.050 | |
High resolution limit [Å] | 2.000 | 8.930 | 2.000 |
Rmerge | 0.067 | 0.017 | 0.654 |
Number of reflections | 172044 | 1882 | 12353 |
<I/σ(I)> | 16.11 | 53.21 | 2.02 |
Completeness [%] | 97.7 | 95.3 | 94.8 |
Crystallization Conditions
crystal ID | method | pH | temperature | details |
1 | VAPOR DIFFUSION, SITTING DROP | 8.6 | 293 | 100 mM Bicine, 6-14% PEG 20000, 2 mM Dioxane, pH 8.6, vapor diffusion, sitting drop, temperature 293K |
1 | VAPOR DIFFUSION, SITTING DROP | 8.6 | 293 | 100 mM Bicine, 6-14% PEG 20000, 2 mM Dioxane, pH 8.6, vapor diffusion, sitting drop, temperature 293K |