2PEY
Crystal structure of deletion mutant of APS-kinase domain of human PAPS-synthetase 1
Experimental procedure
Experimental method | SINGLE WAVELENGTH |
Source type | SYNCHROTRON |
Source details | APS BEAMLINE 22-BM |
Synchrotron site | APS |
Beamline | 22-BM |
Temperature [K] | 193 |
Detector technology | CCD |
Collection date | 2006-04-07 |
Detector | MARMOSAIC 225 mm CCD |
Wavelength(s) | 1.0 |
Spacegroup name | P 21 21 21 |
Unit cell lengths | 43.430, 59.750, 138.920 |
Unit cell angles | 90.00, 90.00, 90.00 |
Refinement procedure
Resolution | 20.000 - 1.880 |
R-factor | 0.20414 |
Rwork | 0.199 |
R-free | 0.25344 |
Structure solution method | MOLECULAR REPLACEMENT |
Starting model (for MR) | 2ofx |
RMSD bond length | 0.012 |
RMSD bond angle | 1.487 |
Data reduction software | XDS |
Phasing software | MOLREP |
Refinement software | REFMAC (5.2.0019) |
Data quality characteristics
Overall | Outer shell | |
Low resolution limit [Å] | 20.000 | 2.000 |
High resolution limit [Å] | 1.880 | 1.880 |
Rmerge | 0.086 | 0.388 |
Number of reflections | 29201 | |
<I/σ(I)> | 16.63 | 4.14 |
Completeness [%] | 97.0 | 82.6 |
Redundancy | 6.9 | 5.4 |
Crystallization Conditions
crystal ID | method | pH | temperature | details |
1 | VAPOR DIFFUSION, HANGING DROP | 5 | 293 | reservoir: 16-20% PEG 3350, 0.25-0.15 M diammonium hydrogen citrate, drop: 3.2 mg/ml protein solution, 2mM dADP, 2mM APS, 5mM MgCl2, pH 5.0, VAPOR DIFFUSION, HANGING DROP, temperature 293K |