1UNM
Crystal structure of 7-Aminoactinomycin D with non-complementary DNA
Experimental procedure
Experimental method | MAD |
Source type | SYNCHROTRON |
Source details | EMBL/DESY, HAMBURG BEAMLINE X11 |
Synchrotron site | EMBL/DESY, HAMBURG |
Beamline | X11 |
Temperature [K] | 100 |
Detector technology | CCD |
Collection date | 2002-06-15 |
Detector | MARRESEARCH |
Wavelength(s) | 1.5418,0.8110 |
Spacegroup name | C 2 2 21 |
Unit cell lengths | 51.586, 70.975, 39.453 |
Unit cell angles | 90.00, 90.00, 90.00 |
Refinement procedure
Resolution | 20.000 - 2.000 |
R-factor | 0.2431 |
R-free | 0.28090 |
Structure solution method | MAD |
RMSD bond length | 0.006 |
RMSD bond angle | 0.019 |
Data reduction software | DENZO |
Data scaling software | SCALEPACK |
Phasing software | SHELXD |
Refinement software | SHELXL-97 |
Data quality characteristics
Overall | Outer shell | |
Low resolution limit [Å] | 20.000 | 2.100 |
High resolution limit [Å] | 2.000 | 2.000 |
Rmerge | 0.032 | 0.090 |
Number of reflections | 10296 | |
<I/σ(I)> | 11.87 | 8.71 |
Completeness [%] | 99.6 | 98.8 |
Redundancy | 1.83 | 1.86 |
Crystallization Conditions
crystal ID | method | pH | temperature | details |
1 | VAPOR DIFFUSION, HANGING DROP | 5.6 | (NH4)2SO4, NAK TART, NA CIT, PH 5.6, HANGING DROP |