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 |