4I4V
BEL beta-trefoil complex with N-acetylgalactosamine
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) | 1.00000 |
| Spacegroup name | P 1 21 1 |
| Unit cell lengths | 66.510, 69.850, 71.360 |
| Unit cell angles | 90.00, 106.26, 90.00 |
Refinement procedure
| Resolution | 24.530 - 1.500 |
| R-factor | 0.18754 |
| Rwork | 0.187 |
| R-free | 0.20669 |
| Structure solution method | MOLECULAR REPLACEMENT |
| Starting model (for MR) | 4i4p |
| RMSD bond length | 0.005 |
| RMSD bond angle | 1.029 |
| 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] | 24.534 | 1.580 |
| High resolution limit [Å] | 1.500 | 1.500 |
| Rmerge | 0.081 | 0.338 |
| Number of reflections | 99935 | |
| <I/σ(I)> | 9.8 | 3.4 |
| Completeness [%] | 99.6 | 98.6 |
| Redundancy | 3.6 | 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 |
