9US5
Domain N deletion mutant of Klebsiella pneumoniae maltohexaose-producing alpha-amylase in complex with maltohexaose
Experimental procedure
| Experimental method | SINGLE WAVELENGTH |
| Source type | SYNCHROTRON |
| Source details | PHOTON FACTORY BEAMLINE AR-NW12A |
| Synchrotron site | Photon Factory |
| Beamline | AR-NW12A |
| Temperature [K] | 95 |
| Detector technology | PIXEL |
| Collection date | 2021-11-30 |
| Detector | DECTRIS PILATUS 2M |
| Wavelength(s) | 1.0000 |
| Spacegroup name | I 4 2 2 |
| Unit cell lengths | 163.084, 163.084, 139.376 |
| Unit cell angles | 90.00, 90.00, 90.00 |
Refinement procedure
| Resolution | 43.060 - 2.660 |
| Rwork | 0.182 |
| R-free | 0.22590 |
| Structure solution method | MOLECULAR REPLACEMENT |
| Starting model (for MR) | 9us3 |
| RMSD bond length | 0.003 |
| RMSD bond angle | 1.234 |
| Data reduction software | XDS |
| Data scaling software | SCALA |
| Phasing software | MOLREP |
| Refinement software | REFMAC (5.8.0267) |
Data quality characteristics
| Overall | Outer shell | |
| Low resolution limit [Å] | 100.000 | 2.800 |
| High resolution limit [Å] | 2.660 | 2.660 |
| Rmerge | 0.121 | 1.671 |
| Number of reflections | 27247 | 3935 |
| <I/σ(I)> | 29.3 | 2.5 |
| Completeness [%] | 100.0 | |
| Redundancy | 26.3 |
Crystallization Conditions
| crystal ID | method | pH | temperature | details |
| 1 | VAPOR DIFFUSION, SITTING DROP | 8 | 293 | 3.0~3.2 M NaCl 1 mM CaCl2 0.1 M Tris-HCl pH 8.0 |
