3LPP
Crystal complex of N-terminal sucrase-isomaltase with kotalanol
Experimental procedure
| Experimental method | SINGLE WAVELENGTH |
| Source type | SYNCHROTRON |
| Source details | CHESS BEAMLINE F1 |
| Synchrotron site | CHESS |
| Beamline | F1 |
| Temperature [K] | 100 |
| Detector technology | CCD |
| Collection date | 2009-05-09 |
| Detector | ADSC QUANTUM 270 |
| Wavelength(s) | 0.9175 |
| Spacegroup name | P 21 21 21 |
| Unit cell lengths | 69.403, 165.763, 341.400 |
| Unit cell angles | 90.00, 90.00, 90.00 |
Refinement procedure
| Resolution | 19.950 - 2.150 |
| R-factor | 0.1792 |
| Rwork | 0.177 |
| R-free | 0.22263 |
| Structure solution method | MOLECULAR REPLACEMENT |
| RMSD bond length | 0.011 |
| RMSD bond angle | 1.304 |
| Data reduction software | DENZO |
| Data scaling software | SCALEPACK |
| Phasing software | PHASER |
| Refinement software | REFMAC (5.2.0019) |
Data quality characteristics
| Overall | Inner shell | Outer shell | |
| Low resolution limit [Å] | 20.000 | 20.000 | 2.190 |
| High resolution limit [Å] | 2.150 | 5.790 | 2.150 |
| Rmerge | 0.165 | 0.150 | 0.474 |
| Number of reflections | 202547 | ||
| <I/σ(I)> | 11.4 | ||
| Completeness [%] | 95.0 | 99.7 | 84.6 |
| Redundancy | 4.4 | 6.4 | 3.1 |
Crystallization Conditions
| crystal ID | method | pH | temperature | details |
| 1 | VAPOR DIFFUSION | 7 | 298 | 0.5M NaCl, 0.1M Bis-Tris propane, 18% PEG 4000, pH 7.0, vapor diffusion, temperature 298K |
