4IYP
structure of the nPP2Ac-alpha4 complex
Experimental procedure
| Experimental method | SINGLE WAVELENGTH |
| Source type | SYNCHROTRON |
| Source details | APS BEAMLINE 21-ID-F |
| Synchrotron site | APS |
| Beamline | 21-ID-F |
| Temperature [K] | 100 |
| Detector technology | CCD |
| Collection date | 2010-10-18 |
| Detector | MARMOSAIC 300 mm CCD |
| Wavelength(s) | 0.9792 |
| Spacegroup name | P 32 2 1 |
| Unit cell lengths | 116.127, 116.127, 81.230 |
| Unit cell angles | 90.00, 90.00, 120.00 |
Refinement procedure
| Resolution | 34.428 - 2.797 |
| R-factor | 0.1807 |
| Rwork | 0.179 |
| R-free | 0.22240 |
| Structure solution method | SAD |
| RMSD bond length | 0.009 |
| RMSD bond angle | 1.207 |
| Data reduction software | HKL-2000 |
| Data scaling software | HKL-2000 |
| Phasing software | CRANK |
| Refinement software | PHENIX ((phenix.refine: 1.8_1069)) |
Data quality characteristics
| Overall | Outer shell | |
| Low resolution limit [Å] | 50.000 | 2.850 |
| High resolution limit [Å] | 2.797 | 2.797 |
| Number of reflections | 15948 | |
| <I/σ(I)> | 28.7 | 3.22 |
| Completeness [%] | 99.8 | 98.7 |
| Redundancy | 20.1 | 10.7 |
Crystallization Conditions
| crystal ID | method | pH | temperature | details |
| 1 | VAPOR DIFFUSION, SITTING DROP | 8 | 291 | 12-15% PEG3350 (v/v), 0.3 M Na/K tartrate, pH 8.0, VAPOR DIFFUSION, SITTING DROP, temperature 291K |
