5YTZ
Crystal structure of echinomycin-d(ACGTCGT)2 complex
Experimental procedure
Experimental method | SINGLE WAVELENGTH |
Source type | SYNCHROTRON |
Source details | NSRRC BEAMLINE TPS 05A |
Synchrotron site | NSRRC |
Beamline | TPS 05A |
Temperature [K] | 100 |
Detector technology | CCD |
Collection date | 2016-11-04 |
Detector | RAYONIX MX300-HS |
Wavelength(s) | 0.92014 |
Spacegroup name | I 41 2 2 |
Unit cell lengths | 41.759, 41.759, 138.415 |
Unit cell angles | 90.00, 90.00, 90.00 |
Refinement procedure
Resolution | 27.160 - 1.550 |
R-factor | 0.209 |
Rwork | 0.206 |
R-free | 0.23500 |
Structure solution method | MOLECULAR REPLACEMENT |
Starting model (for MR) | 3go3 |
RMSD bond length | 0.008 |
RMSD bond angle | 1.344 |
Data reduction software | HKL-2000 |
Data scaling software | HKL-2000 |
Phasing software | PHASER (7.0.005) |
Refinement software | PHENIX (1.10.1_2155) |
Data quality characteristics
Overall | Outer shell | |
Low resolution limit [Å] | 30.000 | 1.610 |
High resolution limit [Å] | 1.550 | 1.550 |
Rmerge | 0.037 | 0.141 |
Number of reflections | 16665 | 908 |
<I/σ(I)> | 12.9 | |
Completeness [%] | 99.9 | 99.9 |
Redundancy | 17.3 | 12.5 |
Crystallization Conditions
crystal ID | method | pH | temperature | details |
1 | VAPOR DIFFUSION, SITTING DROP | 293 | 20mM MES (pH 6.0), 10mM MgCl2, 2mM spermine 4HCl, 2% 2-methyl-2,4-pentanediol (MPD), 10mM MnSO4 and 10mM KBr by equilibrating against 500 ul of 30% MPD reservoir solution. |