5FXC
Crystal structure of glycopeptide 22 in complex with scFv-SM3
Experimental procedure
Experimental method | SINGLE WAVELENGTH |
Source type | SYNCHROTRON |
Source details | ALBA BEAMLINE XALOC |
Synchrotron site | ALBA |
Beamline | XALOC |
Temperature [K] | 100 |
Detector technology | PIXEL |
Detector | DECTRIS PILATUS 6M |
Spacegroup name | P 21 21 21 |
Unit cell lengths | 35.349, 67.875, 90.889 |
Unit cell angles | 90.00, 90.00, 90.00 |
Refinement procedure
Resolution | 54.380 - 2.050 |
R-factor | 0.20171 |
Rwork | 0.200 |
R-free | 0.27672 |
Structure solution method | MOLECULAR REPLACEMENT |
Starting model (for MR) | 5a2i |
RMSD bond length | 0.009 |
RMSD bond angle | 1.397 |
Data reduction software | XDS |
Data scaling software | SCALEPACK |
Phasing software | MOLREP |
Refinement software | REFMAC (5.8.0049) |
Data quality characteristics
Overall | Outer shell | |
Low resolution limit [Å] | 20.000 | 2.160 |
High resolution limit [Å] | 2.050 | 2.050 |
Rmerge | 0.120 | 0.780 |
Number of reflections | 14126 | |
<I/σ(I)> | 10.4 | 2.1 |
Completeness [%] | 98.5 | 92.2 |
Redundancy | 7.8 | 5 |
Crystallization Conditions
crystal ID | method | pH | temperature | details |
1 |