4J3X
Crystal structure of barley limit dextrinase (E510A mutant) in complex with a branched maltoheptasaccharide
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 | 2012-08-30 |
| Detector | MAR CCD 165 mm |
| Wavelength(s) | 1.04 |
| Spacegroup name | C 1 2 1 |
| Unit cell lengths | 173.270, 86.200, 61.560 |
| Unit cell angles | 90.00, 96.03, 90.00 |
Refinement procedure
| Resolution | 28.340 - 1.750 |
| R-factor | 0.1488 |
| Rwork | 0.146 |
| R-free | 0.19540 |
| Structure solution method | MOLECULAR REPLACEMENT |
| Starting model (for MR) | 2y4s |
| RMSD bond length | 0.006 |
| RMSD bond angle | 1.145 |
| Data reduction software | XDS |
| Data scaling software | XSCALE |
| Phasing software | REFMAC |
| Refinement software | REFMAC |
Data quality characteristics
| Overall | Inner shell | Outer shell | |
| Low resolution limit [Å] | 30.000 | 1.850 | |
| High resolution limit [Å] | 1.750 | 5.160 | 1.750 |
| Rmerge | 0.076 | 0.029 | 0.537 |
| Rmeas | 0.035 | 0.650 | |
| Number of reflections | 89001 | 3302 | 14033 |
| <I/σ(I)> | 11.95 | 33.03 | 2.41 |
| Completeness [%] | 97.4 | 90.7 | 95.7 |
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 |
