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 |
