4I4X
BEL beta-trefoil complex with T-Antigen disaccharide
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 |
| Collection date | 2011-06-22 |
| Detector | ADSC QUANTUM 210 |
| Wavelength(s) | 0.93340 |
| Spacegroup name | P 1 21 1 |
| Unit cell lengths | 66.410, 69.960, 71.790 |
| Unit cell angles | 90.00, 106.36, 90.00 |
Refinement procedure
| Resolution | 25.660 - 1.720 |
| R-factor | 0.17787 |
| Rwork | 0.176 |
| R-free | 0.20548 |
| Structure solution method | MOLECULAR REPLACEMENT |
| Starting model (for MR) | 4i4p |
| RMSD bond length | 0.006 |
| RMSD bond angle | 1.036 |
| Data reduction software | MOSFLM |
| Data scaling software | SCALA |
| Phasing software | MOLREP |
| Refinement software | REFMAC (5.6.0117) |
Data quality characteristics
| Overall | Outer shell | |
| Low resolution limit [Å] | 30.000 | 1.810 |
| High resolution limit [Å] | 1.720 | 1.720 |
| Rmerge | 0.093 | 0.346 |
| Number of reflections | 64980 | |
| <I/σ(I)> | 12.4 | 5.3 |
| Completeness [%] | 97.1 | 95.7 |
| Redundancy | 3.7 | 3.6 |
Crystallization Conditions
| crystal ID | method | pH | temperature | details |
| 1 | VAPOR DIFFUSION, HANGING DROP | 8.5 | 293 | 0.1 M Tris-HCl, 0.2 M magnesium chloride, 25% PEG4000, 0.2 M 1-butyl-3-methylimidazolium chloride, pH 8.5, VAPOR DIFFUSION, HANGING DROP, temperature 293K |
