3RK1
'X-ray crystal Structure of the putative N-type ATP pyrophosphatase (PF0828) in complex with ATP from Pyrococcus furiosus, Northeast Structural Genomics Consortium Target PfR23
Experimental procedure
Experimental method | SINGLE WAVELENGTH |
Source type | SYNCHROTRON |
Source details | NSLS BEAMLINE X4A |
Synchrotron site | NSLS |
Beamline | X4A |
Temperature [K] | 100 |
Detector technology | CCD |
Collection date | 2008-09-30 |
Detector | ADSC QUANTUM 4 |
Wavelength(s) | 0.97905 |
Spacegroup name | P 21 21 21 |
Unit cell lengths | 58.979, 64.072, 140.134 |
Unit cell angles | 90.00, 90.00, 90.00 |
Refinement procedure
Resolution | 19.880 - 2.300 |
R-factor | 0.203 |
Rwork | 0.203 |
R-free | 0.25300 |
Structure solution method | MOLECULAR REPLACEMENT |
Starting model (for MR) | 3rjz |
RMSD bond length | 0.008 |
RMSD bond angle | 1.300 |
Data reduction software | DENZO |
Data scaling software | SCALEPACK |
Phasing software | COMO |
Refinement software | CNS (1.2 & XtalView) |
Data quality characteristics
Overall | Outer shell | |
Low resolution limit [Å] | 30.000 | 2.380 |
High resolution limit [Å] | 2.300 | 2.300 |
Rmerge | 0.085 | 0.331 |
Number of reflections | 45097 | |
<I/σ(I)> | 15 | 2.9 |
Completeness [%] | 98.3 | 91.8 |
Redundancy | 3.7 | 3.3 |
Crystallization Conditions
crystal ID | method | pH | temperature | details |
1 | VAPOR DIFFUSION, SITTING DROP | 8.5 | 291 | Protein solution: 10 mM Tris (pH 7.5), 100 mM sodium chloride, 5 mM DTT, 0.02% NaN3, and 5mM ATP. Reservoir solution: 100mM Tris (pH 8.5), 300mM (NH4)HPO4 and 1% (w/v) PEG8000., VAPOR DIFFUSION, SITTING DROP, temperature 291K |