2ODA
Crystal Structure of PSPTO_2114
Experimental procedure
| Experimental method | MAD |
| Source type | SYNCHROTRON |
| Source details | NSLS BEAMLINE X12C |
| Synchrotron site | NSLS |
| Beamline | X12C |
| Temperature [K] | 100 |
| Detector technology | CCD |
| Collection date | 2005-11-09 |
| Detector | ADSC QUANTUM 210 |
| Wavelength(s) | 0.97980, 0.97786, 0.95000 |
| Spacegroup name | P 21 21 21 |
| Unit cell lengths | 48.612, 74.427, 106.354 |
| Unit cell angles | 90.00, 90.00, 90.00 |
Refinement procedure
| Resolution | 43.270 - 1.900 |
| Rwork | 0.167 |
| R-free | 0.21900 |
| Structure solution method | MAD |
| RMSD bond length | 0.013 |
| RMSD bond angle | 1.354 |
| Data reduction software | DENZO |
| Data scaling software | SCALEPACK |
| Phasing software | SOLVE (2.11) |
| Refinement software | REFMAC (5.2.0019) |
Data quality characteristics
| Overall | Outer shell | |
| Low resolution limit [Å] | 60.000 | 1.970 |
| High resolution limit [Å] | 1.900 | 1.900 |
| Number of reflections | 30874 | |
| <I/σ(I)> | 41 | 7.3 |
| Completeness [%] | 98.0 | 83.8 |
| Redundancy | 11 | 6.6 |
Crystallization Conditions
| crystal ID | method | pH | temperature | details |
| 1 | VAPOR DIFFUSION, HANGING DROP | 7.3 | 277 | 15-20% PEG 3350, 150-200mM Sodium formate, 100mM Hepes pH 7.3, 5mM MgCl2, VAPOR DIFFUSION, HANGING DROP, temperature 277K |
