6T6L
Mopeia Virus Exonuclease domain complexed soak with Alendronate
Experimental procedure
Experimental method | SINGLE WAVELENGTH |
Source type | SYNCHROTRON |
Source details | ESRF BEAMLINE ID23-1 |
Synchrotron site | ESRF |
Beamline | ID23-1 |
Temperature [K] | 93.15 |
Detector technology | PIXEL |
Collection date | 2018-11-19 |
Detector | DECTRIS PILATUS 6M-F |
Wavelength(s) | 0.97242 |
Spacegroup name | C 1 2 1 |
Unit cell lengths | 133.211, 111.337, 49.149 |
Unit cell angles | 90.00, 104.17, 90.00 |
Refinement procedure
Resolution | 47.654 - 1.757 |
R-factor | 0.193 |
Rwork | 0.191 |
R-free | 0.22210 |
Structure solution method | MOLECULAR REPLACEMENT |
Starting model (for MR) | 6sx8 |
Data reduction software | XDS |
Data scaling software | Aimless (0.7.3) |
Phasing software | PHASER (2.8.3) |
Refinement software | PHENIX (1.15.2_3472) |
Data quality characteristics
Overall | Inner shell | Outer shell | |
Low resolution limit [Å] | 64.580 | 64.580 | 1.850 |
High resolution limit [Å] | 1.757 | 5.560 | 1.760 |
Rmerge | 0.075 | 0.050 | 0.456 |
Rmeas | 0.089 | 0.059 | 0.537 |
Rpim | 0.046 | 0.031 | 0.279 |
Total number of observations | 7404 | 35967 | |
Number of reflections | 67897 | 2129 | 9938 |
<I/σ(I)> | 9.7 | 20.3 | 2.6 |
Completeness [%] | 98.4 | 95.3 | 98.8 |
Redundancy | 3.6 | 3.5 | 3.6 |
CC(1/2) | 0.996 | 0.995 | 0.862 |
Crystallization Conditions
crystal ID | method | pH | temperature | details |
1 | VAPOR DIFFUSION, SITTING DROP | 291 | 0.1 M MES 25-27 % PEG 8000 |