2QJF
Crystal structure of ATP-sulfurylase domain of human PAPS synthetase 1
Experimental procedure
| Experimental method | SINGLE WAVELENGTH |
| Source type | SYNCHROTRON |
| Source details | APS BEAMLINE 22-ID |
| Synchrotron site | APS |
| Beamline | 22-ID |
| Temperature [K] | 100 |
| Detector technology | CCD |
| Collection date | 2003-06-07 |
| Detector | MAR CCD 165 mm |
| Wavelength(s) | 0.91636501 |
| Spacegroup name | P 1 21 1 |
| Unit cell lengths | 63.100, 99.900, 75.900 |
| Unit cell angles | 90.00, 113.00, 90.00 |
Refinement procedure
| Resolution | 20.000 - 2.200 |
| R-factor | 0.17332 |
| Rwork | 0.168 |
| R-free | 0.22451 |
| Structure solution method | MOLECULAR REPLACEMENT |
| Starting model (for MR) | 1i2d |
| RMSD bond length | 0.010 |
| RMSD bond angle | 1.425 |
| Data reduction software | XDS |
| Data scaling software | XSCALE |
| Phasing software | AMoRE |
| Refinement software | REFMAC (5.2.0005) |
Data quality characteristics
| Overall | Outer shell | |
| Low resolution limit [Å] | 20.000 | 2.300 |
| High resolution limit [Å] | 2.200 | 2.200 |
| Rmerge | 0.100 | 0.477 |
| Number of reflections | 43915 | |
| <I/σ(I)> | 12.66 | 3.31 |
| Completeness [%] | 99.6 | 99.9 |
| Redundancy | 3.8 | 3.78 |
Crystallization Conditions
| crystal ID | method | pH | temperature | details |
| 1 | VAPOR DIFFUSION, HANGING DROP | 7 | 298 | mother liquor: 10% PEG 10K, 0.1M HEPES pH 7.0; protein solution: 10mg/ml, ATP-sulfurylase, 5mM APS, 25mM TRIS/HCl pH 7.5, 25mM KCl, VAPOR DIFFUSION, HANGING DROP, temperature 298K |
