1XJQ
ADP Complex OF HUMAN PAPS SYNTHETASE 1
Experimental procedure
| Experimental method | SINGLE WAVELENGTH |
| Source type | SYNCHROTRON |
| Source details | ESRF BEAMLINE ID14-4 |
| Synchrotron site | ESRF |
| Beamline | ID14-4 |
| Temperature [K] | 100 |
| Detector technology | CCD |
| Collection date | 2003-03-01 |
| Detector | ADSC QUANTUM 4 |
| Spacegroup name | P 1 21 1 |
| Unit cell lengths | 78.500, 82.500, 133.000 |
| Unit cell angles | 90.00, 105.00, 90.00 |
Refinement procedure
| Resolution | 129.100 - 2.060 |
| R-factor | 0.17383 |
| Rwork | 0.171 |
| R-free | 0.22147 |
| Structure solution method | MOLECULAR REPLACEMENT WITH INITIAL MERCURY PHASES |
| Starting model (for MR) | 1x6v |
| RMSD bond length | 0.034 |
| RMSD bond angle | 2.474 |
| Data reduction software | XDS |
| Data scaling software | X-GEN |
| Refinement software | REFMAC (5.1.19) |
Data quality characteristics
| Overall | Outer shell | |
| Low resolution limit [Å] | 20.000 | 2.100 |
| High resolution limit [Å] | 2.050 | 2.050 |
| Rmerge | 0.104 | 0.609 |
| Number of reflections | 100470 | |
| <I/σ(I)> | 13.6 | 2.48 |
| Completeness [%] | 97.5 | 89.5 |
| Redundancy | 7.4 | 5.8 |
Crystallization Conditions
| crystal ID | method | pH | temperature | details |
| 1 | 5.6 | 290 | 1 mM ADP was soaked into native crystals (PDB ENTRY 1X6V) for one hour, pH 5.60, VAPOR DIFFUSION, HANGING DROP, temperature 290K |
