1PKE
Crystal Structure of E. coli purine nucleoside phosphorylase complexed with 2-fluoro-2'-deoxyadenosine and sulfate/phosphate
Experimental procedure
Experimental method | SINGLE WAVELENGTH |
Source type | SYNCHROTRON |
Source details | CHESS BEAMLINE A1 |
Synchrotron site | CHESS |
Beamline | A1 |
Temperature [K] | 100 |
Detector technology | CCD |
Collection date | 1996-10-01 |
Detector | ADSC QUANTUM 4 |
Wavelength(s) | 0.97 |
Spacegroup name | P 61 2 2 |
Unit cell lengths | 122.700, 122.700, 243.700 |
Unit cell angles | 90.00, 90.00, 120.00 |
Refinement procedure
Resolution | 6.000 - 2.300 |
R-factor | 0.173 |
Rwork | 0.173 |
R-free | 0.24300 |
Structure solution method | MOLECULAR REPLACEMENT |
Starting model (for MR) | 1ecp |
RMSD bond length | 0.007 * |
RMSD bond angle | 1.300 * |
Data reduction software | DENZO |
Data scaling software | SCALEPACK |
Phasing software | X-PLOR |
Refinement software | CNS (1.0) |
Data quality characteristics
Overall | Outer shell | |
Low resolution limit [Å] | 6.000 | 2.380 |
High resolution limit [Å] | 2.300 | 2.300 |
Rmerge | 0.058 * | |
Number of reflections | 39577 * | |
Completeness [%] | 84.9 * | 36.2 |
Redundancy | 1.8 * |
Crystallization Conditions
crystal ID | method | pH | temperature | details |
1 | VAPOR DIFFUSION, HANGING DROP | 5.4 | 298 | ammonium sulfate, citrate, pH 5.4, VAPOR DIFFUSION, HANGING DROP, temperature 298K |
Crystallization Reagents in Literatures
ID | crystal ID | solution | reagent name | concentration (unit) | details |
1 | 1 | drop | protein | 60 (mg/ml) | |
2 | 1 | reservoir | ammonium sulfate | 30 (%) | |
3 | 1 | reservoir | citrate | 50 (mM) | pH5.4 |