3UNY
Bacillus cereus phosphopentomutase T85E variant soaked with glucose 1,6-bisphosphate
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 | 2010-08-21 |
| Detector | MARMOSAIC 300 mm CCD |
| Wavelength(s) | 0.979 |
| Spacegroup name | P 1 21 1 |
| Unit cell lengths | 106.582, 76.791, 182.287 |
| Unit cell angles | 90.00, 106.07, 90.00 |
Refinement procedure
| Resolution | 20.000 - 1.950 |
| R-factor | 0.16849 |
| Rwork | 0.167 |
| R-free | 0.19919 |
| Structure solution method | MOLECULAR REPLACEMENT |
| RMSD bond length | 0.009 |
| RMSD bond angle | 1.101 |
| 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] | 20.000 | 2.010 |
| High resolution limit [Å] | 1.950 | 1.950 |
| Number of reflections | 206406 | |
| Completeness [%] | 99.2 | 95.9 |
Crystallization Conditions
| crystal ID | method | pH | temperature | details |
| 1 | VAPOR DIFFUSION, HANGING DROP | 5.5 | 293 | 100 mM Bis-Tris, pH 5.5, 50 mM manganese chloride, 17% PEG3350, 75 mM ammonium acetate, soaked with 5 mM glucose 1,6-bisphosphate, VAPOR DIFFUSION, HANGING DROP, temperature 293K |
