3AMR
Crystal Structures of Bacillus subtilis Alkaline Phytase in Complex with Ca2+, 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 | 2009-10-15 |
| Detector | ADSC QUANTUM 315 |
| Wavelength(s) | 1 |
| Spacegroup name | P 21 21 2 |
| Unit cell lengths | 90.129, 73.463, 52.810 |
| Unit cell angles | 90.00, 90.00, 90.00 |
Refinement procedure
| Resolution | 23.950 - 1.250 |
| R-factor | 0.13898 |
| Rwork | 0.137 |
| R-free | 0.17805 |
| Structure solution method | MOLECULAR REPLACEMENT |
| Starting model (for MR) | 1h6l |
| RMSD bond length | 0.021 |
| RMSD bond angle | 2.288 |
| 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 | 1.290 |
| High resolution limit [Å] | 1.250 | 1.250 |
| Rmerge | 0.050 | 0.359 |
| Number of reflections | 96215 | |
| <I/σ(I)> | 33.4 | 4.3 |
| Completeness [%] | 98.7 | 95.5 |
| Redundancy | 8.3 | 6.8 |
Crystallization Conditions
| crystal ID | method | pH | temperature | details |
| 1 | VAPOR DIFFUSION, SITTING DROP | 7.5 | 298 | 5mM CoCl2, 5mM NiCl2, 5mM MgCl2, 0.1M HEPES, 12% PEG 3350, pH 7.5, VAPOR DIFFUSION, SITTING DROP, temperature 298.0K |
