5CWI
Crystal structure of de novo designed helical repeat protein DHR18
Experimental procedure
| Experimental method | SINGLE WAVELENGTH |
| Source type | SYNCHROTRON |
| Source details | ALS BEAMLINE 8.3.1 |
| Synchrotron site | ALS |
| Beamline | 8.3.1 |
| Temperature [K] | 100 |
| Detector technology | CCD |
| Collection date | 2014-11-20 |
| Detector | ADSC QUANTUM 315r |
| Wavelength(s) | 1.111 |
| Spacegroup name | P 1 |
| Unit cell lengths | 24.920, 43.650, 48.750 |
| Unit cell angles | 116.56, 90.72, 102.19 |
Refinement procedure
| Resolution | 43.277 - 1.750 |
| R-factor | 0.2035 |
| Rwork | 0.202 |
| R-free | 0.22510 |
| Structure solution method | MOLECULAR REPLACEMENT |
| RMSD bond length | 0.003 |
| RMSD bond angle | 0.497 |
| Data reduction software | XDS |
| Data scaling software | XSCALE |
| Phasing software | PHASER |
| Refinement software | PHENIX ((phenix.refine: 1.9_1692)) |
Data quality characteristics
| Overall | Inner shell | Outer shell | |
| Low resolution limit [Å] | 50.000 | 1.800 | |
| High resolution limit [Å] | 1.750 | 7.830 | 1.750 |
| Rmerge | 0.046 | 0.020 | 0.849 |
| Rmeas | 0.063 | 0.027 | 1.167 |
| Total number of observations | 36231 | ||
| Number of reflections | 17261 | 163 | 1247 |
| <I/σ(I)> | 9.82 | 27.73 | 1.13 |
| Completeness [%] | 95.8 | 81.9 | 94.3 |
| Redundancy | 2.1 | 2.1 |
Crystallization Conditions
| crystal ID | method | pH | temperature | details |
| 1 | VAPOR DIFFUSION, SITTING DROP | 4.2 | 293 | 0.1 M Phosphate-citrate, pH 4.2, 40% (v/v) PEG 300 |
