2H2U
Crystal structure of the E130Y mutant of human soluble calcium-activated nucleotidase (SCAN) with calcium ion
Experimental procedure
| Experimental method | SINGLE WAVELENGTH |
| Source type | SYNCHROTRON |
| Source details | APS BEAMLINE 22-ID |
| Synchrotron site | APS |
| Beamline | 22-ID |
| Temperature [K] | 100 |
| Detector technology | CCD |
| Collection date | 2006-03-20 |
| Detector | MARMOSAIC 300 mm CCD |
| Wavelength(s) | 0.97182 |
| Spacegroup name | P 1 |
| Unit cell lengths | 42.891, 52.412, 77.806 |
| Unit cell angles | 100.94, 106.51, 99.32 |
Refinement procedure
| Resolution | 47.040 - 2.400 |
| R-factor | 0.22 |
| Rwork | 0.216 |
| R-free | 0.28500 |
| Structure solution method | MOLECULAR REPLACEMENT |
| Starting model (for MR) | 1s1d |
| RMSD bond length | 0.012 |
| RMSD bond angle | 1.480 |
| Data reduction software | DENZO |
| Data scaling software | SCALEPACK |
| Phasing software | PHASER |
| Refinement software | REFMAC (5.2.0005) |
Data quality characteristics
| Overall | Outer shell | |
| Low resolution limit [Å] | 50.000 | 2.490 |
| High resolution limit [Å] | 2.400 | 2.400 |
| Rmerge | 0.065 | 0.451 |
| Number of reflections | 20989 | |
| <I/σ(I)> | 18.4 | |
| Completeness [%] | 86.8 | 83.8 |
| Redundancy | 1.7 | 1.5 |
Crystallization Conditions
| crystal ID | method | pH | temperature | details |
| 1 | VAPOR DIFFUSION, SITTING DROP | 4.8 | 293 | 16% PEG 4000, 0.2 M ammonium sulfate, 0.1M sodium acetate pH4.8, 10 mM CaCl2, VAPOR DIFFUSION, SITTING DROP, temperature 293K |
