3MMJ
Structure of the PTP-like phytase from Selenomonas ruminantium in complex with myo-inositol hexakisphosphate
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 | 2008-10-23 |
| Detector | ADSC QUANTUM 315 |
| Wavelength(s) | 1.1159 |
| 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 | 50.000 - 1.600 |
| R-factor | 0.177 |
| Rwork | 0.177 |
| R-free | 0.24600 |
| Structure solution method | MOLECULAR REPLACEMENT |
| Starting model (for MR) | 2b4u |
| Data reduction software | MOSFLM |
| Data scaling software | SCALA |
| Phasing software | AMoRE |
| Refinement software | CNS |
Data quality characteristics
| Overall | Outer shell | |
| Low resolution limit [Å] | 51.000 | 1.680 |
| High resolution limit [Å] | 1.600 | 1.600 |
| Rmerge | 0.083 | 0.761 |
| Number of reflections | 120565 | |
| <I/σ(I)> | 10.7 | 1.5 |
| Completeness [%] | 92.9 | 77 |
| Redundancy | 4.6 | 4.2 |
Crystallization Conditions
| crystal ID | method | pH | temperature | details |
| 1 | VAPOR DIFFUSION, SITTING DROP | 4.8 | 293 | 8-10% PEG8000, 200-300 NaCl, 50 mM Sodium Acetate, pH 4.8, VAPOR DIFFUSION, SITTING DROP, temperature 293K |
