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 |