4U8A
Crystal structure of D(CGCGAATTCGCG)2 complexed with BPH-1503
Experimental procedure
Experimental method | SINGLE WAVELENGTH |
Source type | SYNCHROTRON |
Source details | APS BEAMLINE 21-ID-G |
Synchrotron site | APS |
Beamline | 21-ID-G |
Temperature [K] | 100 |
Detector technology | CCD |
Collection date | 2013-02-28 |
Detector | MARMOSAIC 300 mm CCD |
Wavelength(s) | 0.97857 |
Spacegroup name | P 21 21 21 |
Unit cell lengths | 25.175, 40.144, 65.633 |
Unit cell angles | 90.00, 90.00, 90.00 |
Refinement procedure
Resolution | 17.120 - 1.480 |
R-factor | 0.2689 |
Rwork | 0.266 |
R-free | 0.32210 |
Structure solution method | MOLECULAR REPLACEMENT |
Starting model (for MR) | 436d |
RMSD bond length | 0.015 |
RMSD bond angle | 2.838 |
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 | 1.510 |
High resolution limit [Å] | 1.480 | 4.020 | 1.480 |
Rmerge | 0.050 | 0.043 | 0.389 |
Total number of observations | 158484 | ||
Number of reflections | 11466 | ||
<I/σ(I)> | 14.3 | 44.5397 | |
Completeness [%] | 98.3 | 87.4 | 97.1 |
Redundancy | 13.8 | 10.6 | 12.9 |
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 |