4LRA
Phosphopentomutase S154G 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 |
| Detector | MARMOSAIC 300 mm CCD |
| Wavelength(s) | 0.979 |
| Spacegroup name | P 1 21 1 |
| Unit cell lengths | 91.050, 76.699, 106.794 |
| Unit cell angles | 90.00, 108.20, 90.00 |
Refinement procedure
| Resolution | 20.000 - 2.000 |
| R-factor | 0.17415 |
| Rwork | 0.172 |
| R-free | 0.21027 |
| Structure solution method | MOLECULAR REPLACEMENT |
| Starting model (for MR) | 3m8w |
| RMSD bond length | 0.008 |
| RMSD bond angle | 1.173 |
| Data reduction software | HKL-2000 |
| Data scaling software | SCALEPACK |
| Phasing software | CNS |
| Refinement software | REFMAC (5.7.0032) |
Data quality characteristics
| Overall | Outer shell | |
| Low resolution limit [Å] | 50.000 | 1.980 |
| High resolution limit [Å] | 1.950 | 1.950 |
| Number of reflections | 98816 | |
| <I/σ(I)> | 29.4 | 4.7 |
| Completeness [%] | 97.3 | 97.3 |
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 |
