4WU2
Structure of the PTP-like myo-inositol phosphatase from Selenomonas ruminantium in complex with myo-inositol-(1,4,5)-trikisphosphate
Experimental procedure
| Experimental method | SINGLE WAVELENGTH |
| Source type | SYNCHROTRON |
| Source details | CLSI BEAMLINE 08ID-1 |
| Synchrotron site | CLSI |
| Beamline | 08ID-1 |
| Temperature [K] | 100 |
| Detector technology | CCD |
| Collection date | 2011-02-04 |
| Detector | RAYONIX MX-300 |
| Wavelength(s) | .97934 |
| Spacegroup name | P 1 21 1 |
| Unit cell lengths | 45.980, 137.670, 80.010 |
| Unit cell angles | 90.00, 102.42, 90.00 |
Refinement procedure
| Resolution | 44.890 - 2.150 |
| R-factor | 0.19768 |
| Rwork | 0.197 |
| R-free | 0.21947 |
| Structure solution method | MOLECULAR REPLACEMENT |
| Starting model (for MR) | 3mmj |
| RMSD bond length | 0.008 |
| RMSD bond angle | 1.153 |
| Data reduction software | MOSFLM (7.1.1) |
| Data scaling software | Aimless (0.1.27) |
| Refinement software | REFMAC (5.8.0073) |
Data quality characteristics
| Overall | Outer shell | |
| Low resolution limit [Å] | 44.900 | 2.220 |
| High resolution limit [Å] | 2.000 | 2.150 |
| Rmerge | 0.128 | 0.523 |
| Number of reflections | 65377 | |
| <I/σ(I)> | 5.2 | 1.9 |
| Completeness [%] | 99.9 | 100 |
| Redundancy | 3.3 | 3.3 |
Crystallization Conditions
| crystal ID | method | pH | temperature | details |
| 1 | VAPOR DIFFUSION, SITTING DROP | 4.8 | 293 | PEG 8000, sodium acetate, sodium chloride, beta-mercapto ethanol |
