4LR9
Phosphopentomutase S154A variant 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 | 92.329, 76.615, 107.236 |
Unit cell angles | 90.00, 108.96, 90.00 |
Refinement procedure
Resolution | 20.000 - 2.100 |
R-factor | 0.17126 |
Rwork | 0.169 |
R-free | 0.21267 |
Structure solution method | MOLECULAR REPLACEMENT |
Starting model (for MR) | 3m8w |
RMSD bond length | 0.008 |
RMSD bond angle | 1.200 |
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 | 81866 | |
<I/σ(I)> | 17.5 | 3.1 |
Completeness [%] | 99.0 | 95.6 |
Crystallization Conditions
crystal ID | method | pH | temperature | details |
1 | VAPOR DIFFUSION, HANGING DROP | 5.5 | 293 | 17% PEG3350, 50 mM manganese chloride, 50 mM ammonium acetate, 100 mM Bis-Tris, pH 5.5, VAPOR DIFFUSION, HANGING DROP, temperature 293K |