4I4S
BEL beta-trefoil complex with lactose
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 | 2006-09-09 |
| Detector | ADSC QUANTUM 210 |
| Wavelength(s) | 1.00000 |
| Spacegroup name | P 1 21 1 |
| Unit cell lengths | 72.050, 39.140, 119.390 |
| Unit cell angles | 90.00, 93.16, 90.00 |
Refinement procedure
| Resolution | 20.000 - 1.400 |
| R-factor | 0.1893 |
| Rwork | 0.189 |
| R-free | 0.20356 |
| Structure solution method | MOLECULAR REPLACEMENT |
| Starting model (for MR) | 4i4p |
| RMSD bond length | 0.005 |
| RMSD bond angle | 1.071 |
| 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] | 20.500 | 1.470 |
| High resolution limit [Å] | 1.400 | 1.400 |
| Rmerge | 0.078 | 0.280 |
| Number of reflections | 131858 | |
| <I/σ(I)> | 11.6 | 4.7 |
| Completeness [%] | 99.6 | 99.1 |
| Redundancy | 4.1 | 4 |
Crystallization Conditions
| crystal ID | method | pH | temperature | details |
| 1 | VAPOR DIFFUSION, HANGING DROP | 6.5 | 293 | 0.1 M sodium cacodylate, 0.2 M magnesium acetate, 20% PEG8000, pH 6.5, VAPOR DIFFUSION, HANGING DROP, temperature 293K |
