1Z3F
Structure of ellipticine in complex with a 6-bp DNA
Experimental procedure
Experimental method | SINGLE WAVELENGTH |
Source type | SYNCHROTRON |
Source details | ESRF BEAMLINE ID13 |
Synchrotron site | ESRF |
Beamline | ID13 |
Temperature [K] | 120 |
Detector technology | CCD |
Collection date | 2004-06-14 |
Detector | MARRESEARCH |
Wavelength(s) | 0.976 |
Spacegroup name | P 65 |
Unit cell lengths | 24.860, 24.860, 78.860 |
Unit cell angles | 90.00, 90.00, 120.00 |
Refinement procedure
Resolution | 16.660 - 1.500 |
R-factor | 0.2217 |
Rwork | 0.220 |
R-free | 0.24166 |
Structure solution method | MOLECULAR REPLACEMENT |
RMSD bond length | 0.012 |
RMSD bond angle | 2.505 |
Data scaling software | XDS |
Phasing software | AMoRE |
Refinement software | REFMAC (5.2.0005) |
Data quality characteristics
Overall | Outer shell | |
Low resolution limit [Å] | 16.660 | 1.540 |
High resolution limit [Å] | 1.500 | 1.500 |
Number of reflections | 4420 | |
Completeness [%] | 99.6 | 99.7 |
Crystallization Conditions
crystal ID | method | pH | temperature | details |
1 | VAPOR DIFFUSION, HANGING DROP | 5.5 | 293 | MPD, sodium cacodylate, cobalt hexammine, sodium chloride, potassium chloride, pH 5.5, VAPOR DIFFUSION, HANGING DROP, temperature 293K |
Crystallization Reagents
ID | crystal ID | solution ID | reagent name | concentration | details |
1 | 1 | 1 | MPD | ||
10 | 1 | 2 | potassium chloride | ||
11 | 1 | 2 | H2O | ||
2 | 1 | 1 | sodium cacodylate | ||
3 | 1 | 1 | cobalt hexamine | ||
4 | 1 | 1 | sodium chloride | ||
5 | 1 | 1 | potassium chloride | ||
6 | 1 | 1 | H2O | ||
7 | 1 | 2 | MPD | ||
8 | 1 | 2 | sodium cacodylate | ||
9 | 1 | 2 | cobalt hexamine |