8CRY
Crystal structure of alien DNA CTSZZPBSBSZPPBAG in an orthorhombic lattice
Experimental procedure
Experimental method | SINGLE WAVELENGTH |
Source type | SYNCHROTRON |
Source details | APS BEAMLINE 31-ID |
Synchrotron site | APS |
Beamline | 31-ID |
Temperature [K] | 100 |
Detector technology | PIXEL |
Collection date | 2020-07-22 |
Detector | DECTRIS PILATUS3 6M |
Wavelength(s) | 0.97933 |
Spacegroup name | P 21 21 21 |
Unit cell lengths | 41.052, 45.799, 50.550 |
Unit cell angles | 90.00, 90.00, 90.00 |
Refinement procedure
Resolution | 22.129 - 1.200 |
R-factor | 0.2153 |
Rwork | 0.214 |
R-free | 0.23750 |
Structure solution method | MOLECULAR REPLACEMENT |
Data reduction software | XDS |
Data scaling software | Aimless (0.7.4) |
Phasing software | PHASER |
Refinement software | PHENIX (1.13_2998) |
Data quality characteristics
Overall | Inner shell | Outer shell | |
Low resolution limit [Å] | 45.800 | 45.800 | 1.220 |
High resolution limit [Å] | 1.200 | 6.570 | 1.200 |
Rmerge | 0.065 | 0.066 | 0.663 |
Rmeas | 0.072 | 0.073 | 0.809 |
Rpim | 0.030 | 0.031 | 0.453 |
Total number of observations | 175100 | 1204 | 3993 |
Number of reflections | 30144 | 228 | 1318 |
<I/σ(I)> | 13.5 | 24 | 1.7 |
Completeness [%] | 99.0 | 98.4 | 89.7 |
Redundancy | 5.8 | 5.3 | 3 |
CC(1/2) | 0.995 | 0.990 | 0.587 |
Crystallization Conditions
crystal ID | method | pH | temperature | details |
1 | VAPOR DIFFUSION, SITTING DROP | 6.5 | 293 | 0.05 M ADA, pH 6.5, 20% MPD |