3AAP
Crystal Structure of Lp1NTPDase from Legionella pneumophila
Experimental procedure
Experimental method | SINGLE WAVELENGTH |
Source type | SYNCHROTRON |
Source details | APS BEAMLINE 23-ID-B |
Synchrotron site | APS |
Beamline | 23-ID-B |
Temperature [K] | 100 |
Detector technology | CCD |
Detector | ADSC QUANTUM 210 |
Wavelength(s) | 0.979 |
Spacegroup name | P 3 2 1 |
Unit cell lengths | 103.779, 103.779, 75.419 |
Unit cell angles | 90.00, 90.00, 120.00 |
Refinement procedure
Resolution | 37.720 - 1.600 |
R-factor | 0.1893 |
Rwork | 0.188 |
R-free | 0.20668 |
Structure solution method | MOLECULAR REPLACEMENT |
Starting model (for MR) | 3cj1 |
RMSD bond length | 0.014 |
RMSD bond angle | 1.494 |
Data reduction software | MOSFLM |
Data scaling software | SCALA |
Phasing software | PHASER |
Refinement software | REFMAC (5.2.0019) |
Data quality characteristics
Overall | Outer shell | |
Low resolution limit [Å] | 40.000 | 1.690 |
High resolution limit [Å] | 1.600 | 1.600 |
Rmerge | 0.084 | 0.454 |
Number of reflections | 62027 | |
<I/σ(I)> | 33.5 | 4.4 |
Completeness [%] | 99.9 | 100 |
Redundancy | 21.3 | 20.7 |
Crystallization Conditions
crystal ID | method | pH | temperature | details |
1 | VAPOR DIFFUSION, HANGING DROP | 6.5 | 294 | 20-24%(w/v) PEG 3350, 0.2M Na Formate, 0.1M Bis-Tris propane pH 6.5, VAPOR DIFFUSION, HANGING DROP, temperature 294K |