4HIV
Structure of actinomycin D d(ATGCGGCAT) complex
Experimental procedure
Experimental method | SINGLE WAVELENGTH |
Source type | SYNCHROTRON |
Source details | NSRRC BEAMLINE BL13B1 |
Synchrotron site | NSRRC |
Beamline | BL13B1 |
Temperature [K] | 77 |
Detector technology | CCD |
Collection date | 2011-07-13 |
Detector | ADSC QUANTUM 315r |
Wavelength(s) | 0.9062 |
Spacegroup name | P 65 2 2 |
Unit cell lengths | 86.936, 86.936, 49.778 |
Unit cell angles | 90.00, 90.00, 120.00 |
Refinement procedure
Resolution | 30.000 - 2.600 |
R-factor | 0.26 |
Rwork | 0.260 |
R-free | 0.29000 |
RMSD bond length | 0.005 |
RMSD bond angle | 1.408 |
Data reduction software | HKL-2000 |
Data scaling software | HKL-2000 |
Phasing software | CNS |
Refinement software | CNS |
Data quality characteristics
Overall | Inner shell | Outer shell | |
Low resolution limit [Å] | 30.000 | 30.000 | 2.690 |
High resolution limit [Å] | 2.600 | 5.590 | 2.600 |
Rmerge | 0.049 | ||
Number of reflections | 4378 | ||
<I/σ(I)> | 54.205 | 90.7 | 4.11 |
Completeness [%] | 99.8 | 98.8 | 100 |
Redundancy | 13.2 | 11.3 | 13.8 |
Crystallization Conditions
crystal ID | method | pH | temperature | details |
1 | VAPOR DIFFUSION, SITTING DROP | 6 | 277.15 | 40mM sodium cacodylate, 3mM magnesium chloride, 5mM calcium chloride, 10mM spermine, 8% MPD, pH 6.0, VAPOR DIFFUSION, SITTING DROP, temperature 277.15K |