4W67
Crystal structure of Prp peptide
Experimental procedure
| Experimental method | SINGLE WAVELENGTH |
| Source type | SYNCHROTRON |
| Source details | APS BEAMLINE 23-ID-B |
| Synchrotron site | APS |
| Beamline | 23-ID-B |
| Temperature [K] | 100 |
| Detector technology | CCD |
| Collection date | 2011-10-20 |
| Detector | MARMOSAIC 300 mm CCD |
| Wavelength(s) | 0.77490 |
| Spacegroup name | P 1 |
| Unit cell lengths | 8.519, 9.540, 25.405 |
| Unit cell angles | 99.94, 99.56, 90.10 |
Refinement procedure
| Resolution | 9.392 - 1.001 |
| R-factor | 0.1102 |
| Rwork | 0.109 |
| R-free | 0.14820 |
| Structure solution method | AB INITIO PHASING |
| RMSD bond length | 0.006 |
| RMSD bond angle | 1.050 |
| Data reduction software | HKL-2000 |
| Data scaling software | HKL-2000 |
| 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 | 1.040 |
| High resolution limit [Å] | 1.000 | 2.150 | 1.000 |
| Rmerge | 0.050 | 0.048 | 0.124 |
| Total number of observations | 7930 | ||
| Number of reflections | 3145 | ||
| <I/σ(I)> | 30.3 | ||
| Completeness [%] | 74.9 | 88.8 | 53.2 |
| Redundancy | 2.5 | 3.2 | 1.7 |
Crystallization Conditions
| crystal ID | method | pH | temperature | details |
| 1 | VAPOR DIFFUSION, SITTING DROP | 7.5 | 293 | 0.007 M cadmium sulfate, 0.1 M Hepes, and 1.5 M sodium acetate |
