4J3V
Crystal structure of barley limit dextrinase in complex with a branched thio-linked hexasaccharide
Experimental procedure
| Experimental method | SINGLE WAVELENGTH |
| Source type | SYNCHROTRON |
| Source details | MAX II BEAMLINE I911-2 |
| Synchrotron site | MAX II |
| Beamline | I911-2 |
| Temperature [K] | 100 |
| Detector technology | CCD |
| Collection date | 2012-06-23 |
| Detector | MAR CCD 165 mm |
| Wavelength(s) | 1.04 |
| Spacegroup name | C 1 2 1 |
| Unit cell lengths | 173.990, 85.820, 61.550 |
| Unit cell angles | 90.00, 95.98, 90.00 |
Refinement procedure
| Resolution | 28.840 - 1.450 |
| R-factor | 0.1355 |
| Rwork | 0.134 |
| R-free | 0.16930 |
| Structure solution method | MOLECULAR REPLACEMENT |
| Starting model (for MR) | 2y4s |
| RMSD bond length | 0.007 |
| RMSD bond angle | 1.336 |
| Data reduction software | XDS |
| Data scaling software | XSCALE |
| Refinement software | REFMAC |
Data quality characteristics
| Overall | Inner shell | Outer shell | |
| Low resolution limit [Å] | 30.000 | 1.540 | |
| High resolution limit [Å] | 1.450 | 4.310 | 1.450 |
| Rmerge | 0.056 | 0.028 | 0.488 |
| Rmeas | 0.034 | 0.572 | |
| Number of reflections | 158107 | 6079 | 25202 |
| <I/σ(I)> | 15.32 | 40.35 | 3.15 |
| Completeness [%] | 99.5 | 97.6 | 98.5 |
Crystallization Conditions
| crystal ID | method | pH | temperature | details |
| 1 | VAPOR DIFFUSION, HANGING DROP | 298 | 20% PEG 3350, 0.3M NaI, vapor diffusion, hanging drop, temperature 298K |
