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 |
