4LOL
Crystal structure of mSting in complex with DMXAA
Experimental procedure
Experimental method | SINGLE WAVELENGTH |
Source type | SYNCHROTRON |
Source details | APS BEAMLINE 24-ID-E |
Synchrotron site | APS |
Beamline | 24-ID-E |
Temperature [K] | 200 |
Detector technology | CCD |
Collection date | 2013-07-03 |
Detector | ADSC QUANTUM 315 |
Wavelength(s) | 0.9792 |
Spacegroup name | H 3 |
Unit cell lengths | 108.376, 108.376, 101.205 |
Unit cell angles | 90.00, 90.00, 120.00 |
Refinement procedure
Resolution | 44.580 - 2.430 |
R-factor | 0.18398 |
Rwork | 0.183 |
R-free | 0.20851 |
Structure solution method | MOLECULAR REPLACEMENT |
RMSD bond length | 0.015 |
RMSD bond angle | 1.789 |
Data reduction software | RAPD |
Data scaling software | RAPD |
Phasing software | PHASER |
Refinement software | REFMAC (5.7.0032) |
Data quality characteristics
Overall | Outer shell | |
Low resolution limit [Å] | 50.000 | 2.570 |
High resolution limit [Å] | 2.430 | 2.430 |
Number of reflections | 15773 | |
Completeness [%] | 99.5 | 100 |
Crystallization Conditions
crystal ID | method | pH | temperature | details |
1 | VAPOR DIFFUSION, SITTING DROP | 8 | 293 | 1.6 M ammonium sulfate, 0.1 M Tris-HCl, pH 8.0, VAPOR DIFFUSION, SITTING DROP, temperature 293K |