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 |