6AN5
Crystal Structure of The Nucelotide Binding Domain of an O-antigen polysaccharide ABC-transporter
Experimental procedure
| Experimental method | SINGLE WAVELENGTH |
| Source type | SYNCHROTRON |
| Source details | APS BEAMLINE 22-ID |
| Synchrotron site | APS |
| Beamline | 22-ID |
| Temperature [K] | 100 |
| Detector technology | CCD |
| Collection date | 2016-04-24 |
| Detector | MARMOSAIC 300 mm CCD |
| Wavelength(s) | 1.000 |
| Spacegroup name | P 31 2 1 |
| Unit cell lengths | 97.210, 97.210, 103.690 |
| Unit cell angles | 90.00, 90.00, 120.00 |
Refinement procedure
| Resolution | 27.119 - 3.512 |
| R-factor | 0.2484 |
| Rwork | 0.245 |
| R-free | 0.30540 |
| RMSD bond length | 0.005 |
| RMSD bond angle | 0.813 |
| Data reduction software | Aimless |
| Data scaling software | Aimless (0.5.32) |
| Phasing software | PHENIX |
| Refinement software | PHENIX (1.11.1_2575) |
Data quality characteristics
| Overall | Outer shell | |
| Low resolution limit [Å] | 39.250 | 3.850 |
| High resolution limit [Å] | 3.510 | 3.510 |
| Rmerge | 0.175 | |
| Rmeas | 0.195 | 0.942 |
| Rpim | 0.083 | 0.402 |
| Number of reflections | 13640 | 1741 |
| <I/σ(I)> | 6.6 | |
| Completeness [%] | 99.8 | 100 |
| Redundancy | 5.4 | 5.5 |
| CC(1/2) | 0.993 | 0.628 |
Crystallization Conditions
| crystal ID | method | pH | temperature | details |
| 1 | VAPOR DIFFUSION, SITTING DROP | 7.5 | 290 | The crystal was grew in the presence of 0.4M Magnesium Nitrate, 17.5% PEG 8000, 0.1M Tris pH8.5 by sitting-drop vapor diffusion at 17C. The cryo-protection condition is 25% glycerol |
