2XSB
OgOGA PUGNAc complex
Experimental procedure
| Experimental method | SINGLE WAVELENGTH |
| Source type | SYNCHROTRON |
| Source details | ESRF BEAMLINE ID14-1 |
| Synchrotron site | ESRF |
| Beamline | ID14-1 |
| Temperature [K] | 100 |
| Detector technology | CCD |
| Detector | ADSC CCD |
| Spacegroup name | C 1 2 1 |
| Unit cell lengths | 84.583, 96.289, 59.973 |
| Unit cell angles | 90.00, 104.01, 90.00 |
Refinement procedure
| Resolution | 19.990 - 2.110 |
| R-factor | 0.24259 |
| Rwork | 0.242 |
| R-free | 0.27819 |
| Structure solution method | MOLECULAR REPLACEMENT |
| Starting model (for MR) | 2xsa |
| RMSD bond length | 0.012 |
| RMSD bond angle | 1.295 |
| Data reduction software | DENZO |
| Data scaling software | SCALEPACK |
| Refinement software | REFMAC (5.5.0088) |
Data quality characteristics
| Overall | Outer shell | |
| Low resolution limit [Å] | 20.000 | 2.170 |
| High resolution limit [Å] | 2.100 | 2.100 |
| Rmerge | 0.100 | 0.570 |
| Number of reflections | 26338 | |
| <I/σ(I)> | 11.3 | 2.3 |
| Completeness [%] | 98.9 | 95.7 |
| Redundancy | 3.2 | 2.9 |
Crystallization Conditions
| crystal ID | method | pH | temperature | details |
| 1 | 8.5 | 18% POLYETHYLENE GLYCOL 4000, 100-250 MM MGCL2, 100 MM TRIS/HCL, PH 8.5 |
