3AMS
Crystal Structures of Bacillus subtilis Alkaline Phytase in Complex with Ca2+, Cd2+, Co2+, Ni2+, Mg2+ and myo-Inositol Hexasulfate
Experimental procedure
| Experimental method | SINGLE WAVELENGTH |
| Source type | SYNCHROTRON |
| Source details | NSRRC BEAMLINE BL13B1 |
| Synchrotron site | NSRRC |
| Beamline | BL13B1 |
| Temperature [K] | 100 |
| Detector technology | CCD |
| Collection date | 2009-12-12 |
| Detector | ADSC QUANTUM 315 |
| Wavelength(s) | 1 |
| Spacegroup name | P 21 21 2 |
| Unit cell lengths | 89.897, 73.544, 52.533 |
| Unit cell angles | 90.00, 90.00, 90.00 |
Refinement procedure
| Resolution | 25.000 - 2.080 |
| Rwork | 0.171 |
| R-free | 0.21900 |
| Structure solution method | MOLECULAR REPLACEMENT |
| Starting model (for MR) | 1h6l |
| RMSD bond length | 0.010 |
| RMSD bond angle | 1.680 |
| Data reduction software | HKL-2000 |
| Data scaling software | HKL-2000 |
| Phasing software | CNS |
| Refinement software | CNS |
Data quality characteristics
| Overall | Outer shell | |
| Low resolution limit [Å] | 25.000 | |
| High resolution limit [Å] | 2.080 | 2.080 |
| Rmerge | 0.082 | 0.281 |
| Number of reflections | 21329 | |
| <I/σ(I)> | 26.2 | 7.2 |
| Completeness [%] | 99.6 | 98.7 |
| Redundancy | 6.9 | 6.6 |
Crystallization Conditions
| crystal ID | method | pH | temperature | details |
| 1 | VAPOR DIFFUSION, SITTING DROP | 7.5 | 298 | 5mM CoCl2, 5mM CdCl2, 5mM NiCl2, 5mM MgCl2, 0.1M HEPES, 12% PEG 3350 , pH 7.5, VAPOR DIFFUSION, SITTING DROP, temperature 298.0K |
