4LRE
Phosphopentomutase soaked with 2,3-dideoxyribose 5-phosphate
Experimental procedure
Experimental method | SINGLE WAVELENGTH |
Source type | SYNCHROTRON |
Source details | APS BEAMLINE 21-ID-G |
Synchrotron site | APS |
Beamline | 21-ID-G |
Temperature [K] | 100 |
Detector technology | CCD |
Detector | MARMOSAIC 300 mm CCD |
Wavelength(s) | 0.979 |
Spacegroup name | P 1 21 1 |
Unit cell lengths | 91.504, 76.520, 107.286 |
Unit cell angles | 90.00, 108.76, 90.00 |
Refinement procedure
Resolution | 20.000 - 2.100 |
R-factor | 0.19557 |
Rwork | 0.193 |
R-free | 0.23905 |
Structure solution method | MOLECULAR REPLACEMENT |
Starting model (for MR) | 3m8w |
RMSD bond length | 0.009 |
RMSD bond angle | 1.239 |
Data reduction software | HKL-2000 |
Data scaling software | SCALEPACK |
Phasing software | CNS |
Refinement software | REFMAC (5.5.0109) |
Data quality characteristics
Overall | Outer shell | |
Low resolution limit [Å] | 50.000 | 2.180 |
High resolution limit [Å] | 2.100 | 2.100 |
Number of reflections | 79568 | |
<I/σ(I)> | 18.2 | 3.2 |
Completeness [%] | 96.7 | 88.7 |
Crystallization Conditions
crystal ID | method | pH | temperature | details |
1 | VAPOR DIFFUSION, HANGING DROP | 5.5 | 293 | 13% PEG3350, 50 mM manganese chloride, 75 mM ammonium acetate, 100 mM Bis-Tris, crystals soaked in reservoir solution + 10 mM dideoxyribose 5-phosphate for 30 minutes, pH 5.5, VAPOR DIFFUSION, HANGING DROP, temperature 293K |