3CJ1
Structure of Rattus norvegicus NTPDase2
Experimental procedure
Experimental method | SINGLE WAVELENGTH |
Source type | SYNCHROTRON |
Source details | ESRF BEAMLINE ID13 |
Synchrotron site | ESRF |
Beamline | ID13 |
Temperature [K] | 100 |
Detector technology | CCD |
Collection date | 2006-05-18 |
Detector | MAR CCD 165 mm |
Wavelength(s) | 0.947 |
Spacegroup name | P 21 21 21 |
Unit cell lengths | 41.346, 69.029, 164.248 |
Unit cell angles | 90.00, 90.00, 90.00 |
Refinement procedure
Resolution | 33.780 - 1.700 |
R-factor | 0.17567 |
Rwork | 0.175 |
R-free | 0.20385 |
Structure solution method | SIRAS |
RMSD bond length | 0.016 |
RMSD bond angle | 1.430 |
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] | 34.480 | 1.790 |
High resolution limit [Å] | 1.700 | 1.700 |
Rmerge | 0.078 | 0.513 |
Number of reflections | 52974 | |
<I/σ(I)> | 13.7 | 2.8 |
Completeness [%] | 100.0 | 100 |
Redundancy | 5.5 | 5.5 |
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 |