4J3W
Crystal structure of barley limit dextrinase (E510A mutant) in complex with a branched maltohexasaccharide
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 | 2012-10-30 |
| Detector | MAR CCD 165 mm |
| Wavelength(s) | 1.04 |
| Spacegroup name | C 1 2 1 |
| Unit cell lengths | 168.850, 80.940, 58.290 |
| Unit cell angles | 90.00, 100.82, 90.00 |
Refinement procedure
| Resolution | 22.830 - 1.670 |
| R-factor | 0.154 |
| Rwork | 0.153 |
| R-free | 0.18130 |
| Structure solution method | MOLECULAR REPLACEMENT |
| Starting model (for MR) | 2y4s |
| RMSD bond length | 0.005 |
| RMSD bond angle | 1.170 |
| Data scaling software | SCALA (3.3.20) |
| Phasing software | MOLREP |
| Refinement software | REFMAC |
Data quality characteristics
| Overall | Inner shell | Outer shell | |
| Low resolution limit [Å] | 82.924 | 22.825 | 1.740 |
| High resolution limit [Å] | 1.666 | 5.230 | 1.650 |
| Rmerge | 0.056 | 0.352 | |
| Rmeas | 0.062 | 0.405 | |
| Rpim | 0.027 | 0.196 | |
| Total number of observations | 13905 | 42726 | |
| Number of reflections | 89214 | ||
| <I/σ(I)> | 12 | 20.5 | 3.7 |
| Completeness [%] | 97.0 | 98.7 | 79.5 |
| Redundancy | 4.7 | 4.7 | 4 |
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 |
