3AAR
Crystal structure of Lp1NTPDase from Legionella pneumophila in complex with AMPPNP
Experimental procedure
| Experimental method | SINGLE WAVELENGTH |
| Source type | SYNCHROTRON |
| Source details | AUSTRALIAN SYNCHROTRON BEAMLINE MX1 |
| Synchrotron site | Australian Synchrotron |
| Beamline | MX1 |
| Temperature [K] | 100 |
| Detector technology | CCD |
| Detector | ADSC QUANTUM 210 |
| Wavelength(s) | 0.954 |
| Spacegroup name | P 3 2 1 |
| Unit cell lengths | 104.701, 104.701, 75.415 |
| Unit cell angles | 90.00, 90.00, 120.00 |
Refinement procedure
| Resolution | 20.000 - 1.650 |
| R-factor | 0.17753 |
| Rwork | 0.176 |
| R-free | 0.19717 |
| Structure solution method | MOLECULAR REPLACEMENT |
| Starting model (for MR) | 3aap |
| RMSD bond length | 0.011 |
| RMSD bond angle | 1.260 |
| 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] | 35.000 | 1.740 |
| High resolution limit [Å] | 1.650 | 1.650 |
| Rmerge | 0.119 | 0.452 |
| Number of reflections | 55849 | |
| <I/σ(I)> | 14.3 | 3.5 |
| Completeness [%] | 97.6 | 98.8 |
| Redundancy | 7.5 | 7.3 |
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 |
