4BRI
Legionella pneumophila NTPDase1 crystal form II (closed) in complex with MG UMPPNP
Experimental procedure
| Experimental method | SINGLE WAVELENGTH |
| Source type | SYNCHROTRON |
| Source details | BESSY BEAMLINE 14.1 |
| Synchrotron site | BESSY |
| Beamline | 14.1 |
| Temperature [K] | 100 |
| Detector technology | CCD |
| Detector | MARMOSAIC 225 mm CCD |
| Spacegroup name | P 1 21 1 |
| Unit cell lengths | 62.457, 86.411, 72.186 |
| Unit cell angles | 90.00, 106.53, 90.00 |
Refinement procedure
| Resolution | 29.370 - 1.750 |
| R-factor | 0.16407 |
| Rwork | 0.164 |
| R-free | 0.18452 |
| Structure solution method | OTHER |
| Starting model (for MR) | NONE |
| RMSD bond length | 0.020 |
| RMSD bond angle | 1.903 |
| Refinement software | REFMAC (5.7.0029) |
Data quality characteristics
| Overall | |
| Low resolution limit [Å] | 29.000 |
| High resolution limit [Å] | 1.750 |
| Rmerge | 0.080 |
| Number of reflections | 73309 |
| <I/σ(I)> | 7.6 |
| Completeness [%] | 99.3 |
| Redundancy | 3.8 |
Crystallization Conditions
| crystal ID | method | pH | temperature | details |
| 1 | 5.5 | 100MM NAMES PH 5.5, 15% PEG3350, 10% PEG200 |
