3CER
Crystal structure of the exopolyphosphatase-like protein Q8G5J2. Northeast Structural Genomics Consortium target BlR13
Experimental procedure
| Experimental method | SINGLE WAVELENGTH |
| Source type | SYNCHROTRON |
| Source details | NSLS BEAMLINE X4A |
| Synchrotron site | NSLS |
| Beamline | X4A |
| Temperature [K] | 100 |
| Detector technology | CCD |
| Collection date | 2008-01-22 |
| Detector | ADSC QUANTUM 4 |
| Wavelength(s) | 0.97900 |
| Spacegroup name | C 2 2 21 |
| Unit cell lengths | 83.635, 307.361, 179.074 |
| Unit cell angles | 90.00, 90.00, 90.00 |
Refinement procedure
| Resolution | 19.900 - 2.400 |
| R-factor | 0.2205 |
| Rwork | 0.221 |
| R-free | 0.26680 |
| Structure solution method | SAD |
| RMSD bond length | 0.006 |
| RMSD bond angle | 1.190 |
| Data reduction software | HKL-2000 |
| Data scaling software | SCALEPACK |
| Phasing software | SOLVE |
| Refinement software | CNS (1.2) |
Data quality characteristics
| Overall | Outer shell | |
| Low resolution limit [Å] | 50.000 | 2.490 |
| High resolution limit [Å] | 2.400 | 2.400 |
| Rmerge | 0.072 | 0.307 |
| Number of reflections | 343857 | |
| <I/σ(I)> | 16.5 | 3.5 |
| Completeness [%] | 98.8 | 96.4 |
| Redundancy | 9.1 |
Crystallization Conditions
| crystal ID | method | pH | temperature | details |
| 1 | VAPOR DIFFUSION, HANGING DROP | 6.5 | 293 | 100 mM Na acetate, 16% PEG 8000, 100 mM MgSO4, pH 6.5, VAPOR DIFFUSION, HANGING DROP, temperature 293K |
