9US6
Klebsiella pneumoniae maltohexaose-producing alpha-amylase, terbium derivative
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 | CCD |
| Collection date | 2012-04-19 |
| Detector | ADSC QUANTUM 210 |
| Wavelength(s) | 1.64894 |
| Spacegroup name | P 1 21 1 |
| Unit cell lengths | 74.884, 107.496, 82.083 |
| Unit cell angles | 90.00, 96.59, 90.00 |
Refinement procedure
| Resolution | 46.898 - 2.699 |
| Rwork | 0.164 |
| R-free | 0.21950 |
| Structure solution method | SIRAS |
| RMSD bond length | 0.002 |
| RMSD bond angle | 0.950 |
| Data reduction software | HKL-2000 |
| Data scaling software | SCALEPACK |
| Phasing software | PHASER |
| Refinement software | REFMAC (5.8.0430) |
Data quality characteristics
| Overall | Outer shell | |
| Low resolution limit [Å] | 100.000 | 2.690 |
| High resolution limit [Å] | 2.600 | 2.600 |
| Rmerge | 0.208 | 0.895 |
| Number of reflections | 39283 | 3833 |
| <I/σ(I)> | 14 | 3 |
| Completeness [%] | 98.6 | |
| 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 |
