4W5Y
Crystal structure of Prp pepttide
Experimental procedure
| Experimental method | SINGLE WAVELENGTH |
| Source type | SYNCHROTRON |
| Source details | APS BEAMLINE 19-ID |
| Synchrotron site | APS |
| Beamline | 19-ID |
| Temperature [K] | 100 |
| Detector technology | CCD |
| Collection date | 2007-08-14 |
| Detector | ADSC QUANTUM 315r |
| Wavelength(s) | 0.91840 |
| Spacegroup name | P 1 |
| Unit cell lengths | 9.467, 10.439, 21.985 |
| Unit cell angles | 79.75, 81.89, 66.75 |
Refinement procedure
| Resolution | 10.784 - 1.122 |
| R-factor | 0.0822 |
| Rwork | 0.081 |
| R-free | 0.10000 |
| Structure solution method | AB INITIO PHASING |
| RMSD bond length | 0.009 |
| RMSD bond angle | 1.259 |
| Data reduction software | HKL-2000 |
| Data scaling software | SCALEPACK |
| Phasing software | SHELX |
| Refinement software | PHENIX ((phenix.refine: 1.9_1692)) |
Data quality characteristics
| Overall | Inner shell | Outer shell | |
| Low resolution limit [Å] | 50.000 | 50.000 | 1.160 |
| High resolution limit [Å] | 1.120 | 2.410 | 1.120 |
| Rmerge | 0.056 | 0.040 | 0.083 |
| Total number of observations | 28915 | ||
| Number of reflections | 2879 | ||
| <I/σ(I)> | 17.2 | ||
| Completeness [%] | 98.4 | 98.3 | 90.7 |
| Redundancy | 10 | 10.7 | 6.9 |
Crystallization Conditions
| crystal ID | method | pH | temperature | details |
| 1 | VAPOR DIFFUSION, SITTING DROP | 7.5 | 293 | 0.1 M Hepes, 2.0 M ammonium sulfate, and 2.0 M NDSB-211 |
