7PZA
Structure of the Clr-cAMP-DNA complex
Experimental procedure
Experimental method | SINGLE WAVELENGTH |
Source type | SYNCHROTRON |
Source details | PETRA III, EMBL c/o DESY BEAMLINE P13 (MX1) |
Synchrotron site | PETRA III, EMBL c/o DESY |
Beamline | P13 (MX1) |
Temperature [K] | 100 |
Detector technology | PIXEL |
Collection date | 2018-06-09 |
Detector | DECTRIS PILATUS 6M |
Wavelength(s) | 0.976 |
Spacegroup name | P 21 21 21 |
Unit cell lengths | 50.100, 69.930, 200.390 |
Unit cell angles | 90.00, 90.00, 90.00 |
Refinement procedure
Resolution | 66.030 - 2.720 |
R-factor | 0.2723 |
Rwork | 0.271 |
R-free | 0.30390 |
Structure solution method | MOLECULAR REPLACEMENT |
Starting model (for MR) | 4cyd |
RMSD bond length | 0.021 |
RMSD bond angle | 2.348 |
Data reduction software | XDS |
Data scaling software | SCALA |
Phasing software | PHASER |
Refinement software | PHENIX (1.19.1_4122) |
Data quality characteristics
Overall | Outer shell | |
Low resolution limit [Å] | 66.030 | 2.819 |
High resolution limit [Å] | 2.722 | 2.722 |
Rmerge | 0.145 | 1.223 |
Rmeas | 0.154 | 1.315 |
Rpim | 0.050 | 0.473 |
Number of reflections | 14734 | 129 |
<I/σ(I)> | 11.35 | 1.96 |
Completeness [%] | 74.9 | 6.72 |
Redundancy | 9.3 | 7.2 |
CC(1/2) | 0.994 | 0.788 |
Crystallization Conditions
crystal ID | method | pH | temperature | details |
1 | VAPOR DIFFUSION, SITTING DROP | 8.5 | 291 | 0.09 M sodium fluoride, 0.09 M sodium bromide, 0.09 M sodium iodide, 0.1 M Tris base/BICINE pH 8.5, 12.5% (v/v) MPD, 12.5% (w/v) PEG 1000, 12.5% (w/v) PEG3350, 0.25 mM Clr, 25 mM cAMP, 25 mM magnesium chloride, 0.3125 mM dsDNA |