4U8C
Crystal structure of D(CGCGAATTCGCG)2 complexed with BPH-1409
Experimental procedure
Experimental method | SINGLE WAVELENGTH |
Source type | SYNCHROTRON |
Source details | APS BEAMLINE 21-ID-D |
Synchrotron site | APS |
Beamline | 21-ID-D |
Temperature [K] | 100 |
Detector technology | CCD |
Collection date | 2013-10-17 |
Detector | MARMOSAIC 300 mm CCD |
Wavelength(s) | 0.97857 |
Spacegroup name | P 21 21 21 |
Unit cell lengths | 24.793, 39.948, 65.786 |
Unit cell angles | 90.00, 90.00, 90.00 |
Refinement procedure
Resolution | 17.070 - 1.240 |
R-factor | 0.2789 |
Rwork | 0.276 |
R-free | 0.33290 |
Structure solution method | MOLECULAR REPLACEMENT |
Starting model (for MR) | 436d |
RMSD bond length | 0.015 |
RMSD bond angle | 2.328 |
Data reduction software | HKL-3000 |
Refinement software | REFMAC (5.6.0117) |
Data quality characteristics
Overall | Inner shell | Outer shell | |
Low resolution limit [Å] | 50.000 | 50.000 | 1.260 |
High resolution limit [Å] | 1.240 | 3.370 | 1.240 |
Rmerge | 0.068 | 0.056 | 0.551 |
Total number of observations | 251444 | ||
Number of reflections | 18244 | ||
<I/σ(I)> | 11.9 | ||
Completeness [%] | 95.0 | 63.4 | 83.2 |
Redundancy | 13.8 | 10.1 | 12.1 |
Crystallization Conditions
crystal ID | method | pH | temperature | details |
1 | EVAPORATION | 6.9 | 298 | 40 mM sodium cacodylate, pH 6.9, 50 mM Mg(OAc)2, 6 mM spermine-4HCl, 40% MPD |