1X6V
The crystal structure of human 3'-phosphoadenosine-5'-phosphosulfate synthetase 1
Experimental procedure
| Experimental method | SINGLE WAVELENGTH |
| Source type | SYNCHROTRON |
| Source details | ESRF BEAMLINE ID14-1 |
| Synchrotron site | ESRF |
| Beamline | ID14-1 |
| Temperature [K] | 100 |
| Detector technology | CCD |
| Collection date | 2003-03-01 |
| Detector | ADSC QUANTUM 4 |
| Spacegroup name | P 1 21 1 |
| Unit cell lengths | 78.210, 82.550, 133.600 |
| Unit cell angles | 90.00, 105.10, 90.00 |
Refinement procedure
| Resolution | 129.100 - 1.750 |
| R-factor | 0.16789 |
| Rwork | 0.166 |
| R-free | 0.19811 |
| Structure solution method | MOLECULAR REPLACEMENT WITH INITIAL MERCURY PHASES |
| Starting model (for MR) | PDB ENTRIES 1G8F 1d6j |
| RMSD bond length | 0.021 |
| RMSD bond angle | 1.805 |
| Data reduction software | X-GEN |
| Data scaling software | XDS |
| Refinement software | REFMAC (5.1.19) |
Data quality characteristics
| Overall | Outer shell | |
| Low resolution limit [Å] | 30.000 | 1.850 |
| High resolution limit [Å] | 1.750 | 1.750 |
| Number of reflections | 159267 | |
| <I/σ(I)> | 11 | 2.1 |
| Completeness [%] | 88 | |
| Redundancy | 3.6 | 3.2 |
Crystallization Conditions
| crystal ID | method | pH | temperature | details |
| 1 | 5.6 | 285 | 91 mM sodium Citrate, 270 mM ammonium acetate, 12% PEG 4000, pH 5.6, VAPOR DIFFUSION, HANGING DROP, temperature 285K |
