4LRC
Phosphopentomutase V158L variant
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 |
| Collection date | 2013-06-02 |
| Detector | MARMOSAIC 300 mm CCD |
| Wavelength(s) | 0.979 |
| Spacegroup name | P 1 21 1 |
| Unit cell lengths | 91.718, 76.796, 107.175 |
| Unit cell angles | 90.00, 108.70, 90.00 |
Refinement procedure
| Resolution | 38.780 - 1.890 |
| R-factor | 0.15738 |
| Rwork | 0.155 |
| R-free | 0.19737 |
| Structure solution method | MOLECULAR REPLACEMENT |
| Starting model (for MR) | 3un3 |
| RMSD bond length | 0.020 |
| RMSD bond angle | 1.931 |
| Data reduction software | HKL-2000 |
| Data scaling software | SCALEPACK |
| Phasing software | MOLREP |
| Refinement software | REFMAC (5.7.0032) |
Data quality characteristics
| Overall | Outer shell | |
| Low resolution limit [Å] | 50.000 | 1.920 |
| High resolution limit [Å] | 1.890 | 1.890 |
| Number of reflections | 102942 | |
| <I/σ(I)> | 14.9 | 3.4 |
| Completeness [%] | 91.5 | 92.7 |
Crystallization Conditions
| crystal ID | method | pH | temperature | details |
| 1 | VAPOR DIFFUSION, HANGING DROP | 5.45 | 293 | 20% PEG3350, 50 mM manganese chloride, 50 mM ammonium acetate, 100 mM Bis-Tris, pH 5.45, VAPOR DIFFUSION, HANGING DROP, temperature 293K |
