3CJA
Structure of Rattus norvegicus NTPDase2 in complex with calcium and AMPPNP
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 |
| Collection date | 2007-11-23 |
| Detector | MARMOSAIC 225 mm CCD |
| Wavelength(s) | 0.9184 |
| Spacegroup name | P 21 21 21 |
| Unit cell lengths | 40.900, 68.870, 163.720 |
| Unit cell angles | 90.00, 90.00, 90.00 |
Refinement procedure
| Resolution | 26.340 - 2.100 |
| R-factor | 0.16659 |
| Rwork | 0.165 |
| R-free | 0.20994 |
| Structure solution method | SIRAS |
| RMSD bond length | 0.013 |
| RMSD bond angle | 1.391 |
| Data reduction software | MOSFLM |
| Data scaling software | SCALA |
| Phasing software | SHARP |
| Refinement software | REFMAC (5.2.0019) |
Data quality characteristics
| Overall | Outer shell | |
| Low resolution limit [Å] | 26.670 | 2.210 |
| High resolution limit [Å] | 2.100 | 2.100 |
| Rmerge | 0.118 | 0.426 |
| Number of reflections | 26670 | |
| <I/σ(I)> | 12.6 | 3 |
| Completeness [%] | 96.3 | |
| Redundancy | 4.7 | 4.1 |
Crystallization Conditions
| crystal ID | method | pH | temperature | details |
| 1 | VAPOR DIFFUSION, HANGING DROP | 7.2 | 277 | 100mM NaHEPES, 2% PEG 6000, pH 7.2, VAPOR DIFFUSION, HANGING DROP, temperature 277K |
