2D3L
Crystal structure of maltohexaose-producing amylase from Bacillus sp.707 complexed with maltopentaose.
Experimental procedure
Experimental method | SINGLE WAVELENGTH |
Source type | SYNCHROTRON |
Source details | PHOTON FACTORY BEAMLINE BL-18B |
Synchrotron site | Photon Factory |
Beamline | BL-18B |
Temperature [K] | 100 |
Detector technology | CCD |
Collection date | 2004-12-07 |
Detector | ADSC QUANTUM 4 |
Wavelength(s) | 1.15 |
Spacegroup name | P 21 21 21 |
Unit cell lengths | 47.450, 82.460, 126.910 |
Unit cell angles | 90.00, 90.00, 90.00 |
Refinement procedure
Resolution | 6.000 - 2.300 |
R-factor | 0.168 |
Rwork | 0.168 |
R-free | 0.21300 |
Structure solution method | MOLECULAR REPLACEMENT |
Starting model (for MR) | Native structure (1WP6) |
RMSD bond length | 0.006 |
RMSD bond angle | 1.200 |
Data reduction software | MOSFLM |
Data scaling software | SCALEPACK |
Phasing software | CNS |
Refinement software | CNS (1.1) |
Data quality characteristics
Overall | Outer shell | |
Low resolution limit [Å] | 20.000 | 2.130 |
High resolution limit [Å] | 2.060 | 2.060 |
Rmerge | 0.168 | 0.346 |
Number of reflections | 31896 | |
Completeness [%] | 97.8 | 86.7 |
Redundancy | 2.3 | 3.8 |
Crystallization Conditions
crystal ID | method | pH | temperature | details |
1 | VAPOR DIFFUSION, HANGING DROP | 8.5 | 293 | 2,4-dimethylpentanediol, Tris-HCl, Ammonium Phosphate, Calcium chloride, Sodium chloride, Maltopentaose, pH 8.5, VAPOR DIFFUSION, HANGING DROP, temperature 293K |