4WTY
Structure of the PTP-like myo-inositol phosphatase from Selenomonas ruminantium in complex with myo-inositol-(1,3,4,5)-tetrakisphosphate
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) | 0.97934 |
Spacegroup name | P 1 21 1 |
Unit cell lengths | 45.830, 138.150, 80.580 |
Unit cell angles | 90.00, 102.30, 90.00 |
Refinement procedure
Resolution | 43.060 - 2.100 |
R-factor | 0.15724 |
Rwork | 0.157 |
R-free | 0.17538 |
Structure solution method | MOLECULAR REPLACEMENT |
Starting model (for MR) | 3mmj |
RMSD bond length | 0.005 |
RMSD bond angle | 1.067 |
Data reduction software | iMOSFLM |
Data scaling software | Aimless |
Phasing software | MOLREP |
Refinement software | REFMAC (5.8.0073) |
Data quality characteristics
Overall | Outer shell | |
Low resolution limit [Å] | 43.060 | 2.160 |
High resolution limit [Å] | 2.100 | 2.100 |
Rmerge | 0.135 | 0.481 |
Number of reflections | 56995 | |
<I/σ(I)> | 5.8 | 2.3 |
Completeness [%] | 100.0 | 100 |
Redundancy | 3.8 | 1.8 |
Crystallization Conditions
crystal ID | method | pH | temperature | details |
1 | VAPOR DIFFUSION, SITTING DROP | 4.8 | 293 | PEG 8000, sodium chloride, sodium acetate, beta-mercapto ethanol, |