1XNJ
APS 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 | 2003-11-17 |
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 - 1.980 |
R-factor | 0.187 |
Rwork | 0.184 |
R-free | 0.23900 |
Structure solution method | MOLECULAR REPLACEMENT WITH INITIAL MERCURY PHASES |
Starting model (for MR) | 1x6v |
RMSD bond length | 0.036 |
RMSD bond angle | 2.610 |
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] | 40.000 | 2.100 |
High resolution limit [Å] | 1.980 | 1.980 |
Number of reflections | 108016 | |
<I/σ(I)> | 12.8 | 2.11 |
Completeness [%] | 94.5 | 75.9 |
Redundancy | 7.1 | 4.2 |
Crystallization Conditions
crystal ID | method | pH | temperature | details |
1 | 5.6 | 290 | 1 mM APS soaked for 1 hour, pH 5.60, VAPOR DIFFUSION, HANGING DROP, temperature 290K |