4J3U
Crystal structure of barley limit dextrinase in complex with maltosyl-S-betacyclodextrin
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 | 2012-03-13 |
| Detector | MAR CCD 165 mm |
| Wavelength(s) | 1.04 |
| Spacegroup name | C 1 2 1 |
| Unit cell lengths | 195.430, 84.610, 121.790 |
| Unit cell angles | 90.00, 119.91, 90.00 |
Refinement procedure
| Resolution | 29.760 - 1.700 |
| R-factor | 0.1746 |
| Rwork | 0.172 |
| R-free | 0.21830 |
| Structure solution method | MOLECULAR REPLACEMENT |
| Starting model (for MR) | 2y4s |
| RMSD bond length | 0.005 |
| RMSD bond angle | 1.058 |
| Data reduction software | XDS |
| Data scaling software | XSCALE |
| Phasing software | MOLREP |
| Refinement software | REFMAC |
Data quality characteristics
| Overall | Inner shell | Outer shell | |
| Low resolution limit [Å] | 30.000 | 1.800 | |
| High resolution limit [Å] | 1.700 | 5.030 | 1.700 |
| Rmerge | 0.076 | 0.039 | 0.515 |
| Rmeas | 0.045 | 0.602 | |
| Number of reflections | 188337 | 7380 | 30059 |
| <I/σ(I)> | 11.67 | 26.45 | 2.63 |
| Completeness [%] | 99.3 | 97.9 | 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 |
