2OFX
crystal structure of the APSK domain of human PAPSS1 in complex with ADPMg and PAPS
Experimental procedure
| Experimental method | SINGLE WAVELENGTH |
| Source type | SYNCHROTRON |
| Source details | APS BEAMLINE 22-BM |
| Synchrotron site | APS |
| Beamline | 22-BM |
| Temperature [K] | 100 |
| Detector technology | CCD |
| Collection date | 2004-12-17 |
| Detector | MARMOSAIC 225 mm CCD |
| Wavelength(s) | 1.0 |
| Spacegroup name | P 1 21 1 |
| Unit cell lengths | 51.400, 63.320, 61.690 |
| Unit cell angles | 90.00, 114.38, 90.00 |
Refinement procedure
| Resolution | 20.000 - 1.900 |
| R-factor | 0.192 |
| Rwork | 0.187 |
| R-free | 0.23600 |
| Structure solution method | MOLECULAR REPLACEMENT |
| Starting model (for MR) | 2ofw |
| RMSD bond length | 0.012 |
| RMSD bond angle | 1.571 |
| Data reduction software | XDS |
| Data scaling software | XSCALE |
| Phasing software | MOLREP |
| Refinement software | REFMAC |
Data quality characteristics
| Overall | Outer shell | |
| Low resolution limit [Å] | 20.000 | 2.010 |
| High resolution limit [Å] | 1.890 | 1.890 |
| Rmerge | 0.079 | 0.165 |
| Number of reflections | 27832 | |
| <I/σ(I)> | 18.83 | 9.3 |
| Completeness [%] | 97.5 | 94.5 |
| Redundancy | 5.6 | 5.13 |
Crystallization Conditions
| crystal ID | method | pH | temperature | details |
| 1 | VAPOR DIFFUSION, HANGING DROP | 7.3 | 298 | reservoir: 0.2-0.4mM ammonium dihydrogenphosphate protein solution: 6 mg/ml protein, 2 mM PAPS, 2 mM ADP, 5 mM MgCl2, 50 mM Tris pH 7.5, 50 mM KCl , pH 7.3, VAPOR DIFFUSION, HANGING DROP, temperature 298K |
