6ES2
Structure of CDX2-DNA(CAA)
Experimental procedure
Experimental method | SINGLE WAVELENGTH |
Source type | SYNCHROTRON |
Source details | ESRF BEAMLINE ID23-1 |
Synchrotron site | ESRF |
Beamline | ID23-1 |
Temperature [K] | 100 |
Detector technology | PIXEL |
Collection date | 2016-07-02 |
Detector | DECTRIS PILATUS 6M-F |
Wavelength(s) | 0.972420 |
Spacegroup name | I 1 2 1 |
Unit cell lengths | 70.248, 46.695, 128.634 |
Unit cell angles | 90.00, 101.40, 90.00 |
Refinement procedure
Resolution | 66.190 - 2.950 |
R-factor | 0.2103 |
Rwork | 0.208 |
R-free | 0.24390 |
Structure solution method | MOLECULAR REPLACEMENT |
Starting model (for MR) | 5lty |
RMSD bond length | 0.015 |
RMSD bond angle | 1.918 |
Data reduction software | XDS |
Data scaling software | Aimless (0.5.25) |
Phasing software | PHASER |
Refinement software | REFMAC (5.8.0158) |
Data quality characteristics
Overall | Inner shell | Outer shell | |
Low resolution limit [Å] | 66.190 | 55.960 | 3.130 |
High resolution limit [Å] | 2.950 | 8.860 | 2.950 |
Rmerge | 0.077 | 0.038 | 0.830 |
Rmeas | 0.093 | 0.047 | 0.993 |
Rpim | 0.051 | 0.027 | 0.539 |
Number of reflections | 8494 | 341 | 1264 |
<I/σ(I)> | 7.5 | ||
Completeness [%] | 96.6 | 97.4 | 90.5 |
Redundancy | 3.2 | 2.8 | 3.2 |
CC(1/2) | 0.998 | 0.998 | 0.611 |
Crystallization Conditions
crystal ID | method | pH | temperature | details |
1 | VAPOR DIFFUSION, SITTING DROP | 8 | 298 | 27 % PME 5000, 0.15M potassium chloride, 0.1M magnesium chloride, 8% PEG 400, 0.05M TRIS buffer |