9US4
Klebsiella pneumoniae maltohexaose-producing alpha-amylase in complex with acarbose
Experimental procedure
| Experimental method | SINGLE WAVELENGTH |
| Source type | SYNCHROTRON |
| Source details | PHOTON FACTORY BEAMLINE AR-NE3A |
| Synchrotron site | Photon Factory |
| Beamline | AR-NE3A |
| Temperature [K] | 95 |
| Detector technology | CCD |
| Collection date | 2013-02-15 |
| Detector | ADSC QUANTUM 270 |
| Wavelength(s) | 1.00 |
| Spacegroup name | P 1 21 1 |
| Unit cell lengths | 74.913, 108.244, 82.284 |
| Unit cell angles | 90.00, 96.77, 90.00 |
Refinement procedure
| Resolution | 29.681 - 1.950 |
| Rwork | 0.189 |
| R-free | 0.22660 |
| Structure solution method | MOLECULAR REPLACEMENT |
| Starting model (for MR) | 9us3 |
| RMSD bond length | 0.002 |
| RMSD bond angle | 1.178 |
| Data reduction software | HKL-2000 |
| Data scaling software | SCALEPACK |
| Phasing software | REFMAC |
| Refinement software | REFMAC (5.8.0267) |
Data quality characteristics
| Overall | Outer shell | |
| Low resolution limit [Å] | 100.000 | 1.980 |
| High resolution limit [Å] | 1.950 | 1.950 |
| Rmerge | 0.156 | 0.795 |
| Number of reflections | 94976 | 4720 |
| <I/σ(I)> | 12 | 2.3 |
| Completeness [%] | 100.0 | |
| Redundancy | 14.4 |
Crystallization Conditions
| crystal ID | method | pH | temperature | details |
| 1 | MICROBATCH | 6.2 | 293 | 8% polyethylene glycol 3000, 4% polyethylene glycol 3350, 40 mM sodium thiocyanate |
