3O3L
Structure of the PTP-like phytase from Selenomonas ruminantium in complex with myo-inositol (1,3,4,5)tetrakisphosphate
Experimental procedure
| Experimental method | SINGLE WAVELENGTH |
| Source type | SYNCHROTRON |
| Source details | ALS BEAMLINE 8.3.1 |
| Synchrotron site | ALS |
| Beamline | 8.3.1 |
| Temperature [K] | 100 |
| Detector technology | CCD |
| Collection date | 2008-01-26 |
| Detector | ADSC QUANTUM 210 |
| Wavelength(s) | 1.11587 |
| Spacegroup name | P 1 21 1 |
| Unit cell lengths | 46.130, 136.950, 79.910 |
| Unit cell angles | 90.00, 102.95, 90.00 |
Refinement procedure
| Resolution | 51.400 - 1.850 |
| R-factor | 0.166 |
| Rwork | 0.163 |
| R-free | 0.18760 |
| Structure solution method | MOLECULAR REPLACEMENT |
| RMSD bond length | 0.014 |
| RMSD bond angle | 1.554 |
| Data reduction software | MOSFLM |
| Data scaling software | SCALA (3.2.5) |
| Phasing software | AMoRE |
| Refinement software | CNS |
Data quality characteristics
| Overall | Inner shell | Outer shell | |
| Low resolution limit [Å] | 77.947 | 77.850 | 1.950 |
| High resolution limit [Å] | 1.850 | 5.850 | 1.850 |
| Rmerge | 0.118 | 0.037 | 0.753 |
| Total number of observations | 14936 | 53141 | |
| Number of reflections | 77167 | ||
| <I/σ(I)> | 9.5 | 25 | 1.9 |
| Completeness [%] | 94.1 | 99.9 | 89.3 |
| Redundancy | 4.9 | 5.6 | 5 |
Crystallization Conditions
| crystal ID | method | pH | temperature | details |
| 1 | VAPOR DIFFUSION, SITTING DROP | 4.8 | 298 | 10% P8K, 200 mM NaCl, 50 mM Na-acetate (pH 4.8), VAPOR DIFFUSION, SITTING DROP, temperature 298K |
