3MOZ
Structure of the PTP-like phytase from Selenomonas ruminantium in complex with myo-inositol (1,2,3,5,6)pentakisphosphate
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 | 2007-10-10 |
| Detector | ADSC QUANTUM 315 |
| Wavelength(s) | 1.11587 |
| Spacegroup name | P 1 21 1 |
| Unit cell lengths | 46.000, 137.210, 79.990 |
| Unit cell angles | 90.00, 102.97, 90.00 |
Refinement procedure
| Resolution | 37.500 - 1.600 |
| R-factor | 0.164 |
| Rwork | 0.164 |
| R-free | 0.18400 |
| Structure solution method | MOLECULAR REPLACEMENT |
| Starting model (for MR) | 2b4u |
| RMSD bond length | 0.011 |
| RMSD bond angle | 1.648 |
| Data reduction software | MOSFLM |
| Data scaling software | SCALEPACK |
| Phasing software | AMoRE |
| Refinement software | CNS |
Data quality characteristics
| Overall | Outer shell | |
| Low resolution limit [Å] | 37.500 | 1.680 |
| High resolution limit [Å] | 1.600 | 1.600 |
| Rmerge | 0.074 | 0.380 |
| Number of reflections | 126093 | |
| <I/σ(I)> | 15.5 | 2.8 |
| Completeness [%] | 89.9 | 56.8 |
| Redundancy | 3.6 | 2.8 |
Crystallization Conditions
| crystal ID | method | pH | temperature | details |
| 1 | VAPOR DIFFUSION, SITTING DROP | 4.6 | 298 | 8-10% PEG8000, 200-350 mM NaCl, 50 mM Sodium acetate, pH 4.6, VAPOR DIFFUSION, SITTING DROP, temperature 298K |
