2H2N
Crystal structure of human soluble calcium-activated nucleotidase (SCAN) with calcium ion
Experimental procedure
Experimental method | SINGLE WAVELENGTH |
Source type | ROTATING ANODE |
Source details | RIGAKU |
Temperature [K] | 110 |
Detector technology | IMAGE PLATE |
Collection date | 2005-11-20 |
Detector | RIGAKU RAXIS IV |
Wavelength(s) | 1.54178 |
Spacegroup name | P 1 |
Unit cell lengths | 43.094, 52.368, 77.426 |
Unit cell angles | 75.06, 74.52, 79.47 |
Refinement procedure
Resolution | 31.080 - 2.300 |
R-factor | 0.172 |
Rwork | 0.168 |
R-free | 0.24900 |
Structure solution method | MOLECULAR REPLACEMENT |
RMSD bond length | 0.027 |
RMSD bond angle | 2.136 |
Data reduction software | CrystalClear ((MSC/RIGAKU)) |
Data scaling software | d*TREK (9.2SSI) |
Phasing software | PHASER |
Refinement software | REFMAC |
Data quality characteristics
Overall | Inner shell | Outer shell | |
Low resolution limit [Å] | 31.080 | 31.080 | 2.380 |
High resolution limit [Å] | 2.300 | 4.950 | 2.300 |
Rmerge | 0.058 | 0.036 | 0.178 |
Total number of observations | 15967 | 14462 | |
Number of reflections | 27727 | ||
<I/σ(I)> | 17.9 | 45.2 | 4.9 |
Completeness [%] | 99.7 | 99.8 | 99.3 |
Redundancy | 5.43 | 5.57 | 5.13 |
Crystallization Conditions
crystal ID | method | pH | temperature | details |
1 | VAPOR DIFFUSION, SITTING DROP | 4.8 | 293 | 8% PEG 4000, 0.2 M ammonium sulfate, 0.1M sodium acetate pH4.8, 10 mM CaCl2, VAPOR DIFFUSION, SITTING DROP, temperature 293K |