4XPC
Crystal structure of 5'- CTTATAAATTTATAAG in a host-guest complex
Experimental procedure
Experimental method | SINGLE WAVELENGTH |
Source type | SYNCHROTRON |
Source details | APS BEAMLINE 23-ID-D |
Synchrotron site | APS |
Beamline | 23-ID-D |
Temperature [K] | 93 |
Detector technology | PIXEL |
Collection date | 2014-11-16 |
Detector | DECTRIS PILATUS 6M |
Wavelength(s) | 0.97933 |
Spacegroup name | P 21 21 2 |
Unit cell lengths | 54.636, 145.273, 46.801 |
Unit cell angles | 90.00, 90.00, 90.00 |
Refinement procedure
Resolution | 28.692 - 1.680 |
R-factor | 0.2166 |
Rwork | 0.215 |
R-free | 0.24080 |
Structure solution method | MOLECULAR REPLACEMENT |
RMSD bond length | 0.005 |
RMSD bond angle | 0.964 |
Data scaling software | Aimless (0.3.11) |
Phasing software | PHASER |
Refinement software | PHENIX |
Data quality characteristics
Overall | Inner shell | Outer shell | |
Low resolution limit [Å] | 29.050 | 29.050 | 1.710 |
High resolution limit [Å] | 1.680 | 9.050 | 1.680 |
Rmerge | 0.030 | 0.016 | 0.431 |
Rpim | 0.017 | 0.009 | 0.230 |
Total number of observations | 183063 | 1261 | 9541 |
Number of reflections | 43118 | ||
<I/σ(I)> | 24.8 | 69.5 | 3.4 |
Completeness [%] | 99.3 | 96.7 | 99.3 |
Redundancy | 4.2 | 3.8 | 4.4 |
CC(1/2) | 0.999 | 0.999 | 0.875 |
Crystallization Conditions
crystal ID | method | pH | temperature | details |
1 | VAPOR DIFFUSION, HANGING DROP | 293 | PEG 4000 |