5CWQ
Crystal structure of de novo designed helical repeat protein DHR81
Experimental procedure
| Experimental method | SINGLE WAVELENGTH |
| Source type | SYNCHROTRON |
| Source details | ALS BEAMLINE 8.2.1 |
| Synchrotron site | ALS |
| Beamline | 8.2.1 |
| Temperature [K] | 100 |
| Detector technology | CCD |
| Collection date | 2015-02-27 |
| Detector | ADSC QUANTUM 315r |
| Wavelength(s) | 1.0 |
| Spacegroup name | I 2 3 |
| Unit cell lengths | 120.000, 120.000, 120.000 |
| Unit cell angles | 90.00, 90.00, 90.00 |
Refinement procedure
| Resolution | 37.947 - 2.050 |
| R-factor | 0.2005 |
| Rwork | 0.199 |
| R-free | 0.22850 |
| Structure solution method | MOLECULAR REPLACEMENT |
| RMSD bond length | 0.002 |
| RMSD bond angle | 0.425 |
| 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 | 2.100 | |
| High resolution limit [Å] | 2.050 | 9.170 | 2.050 |
| Rmerge | 0.312 | 0.041 | 3.527 |
| Rmeas | 0.319 | 0.042 | 3.608 |
| Total number of observations | 397887 | ||
| Number of reflections | 18193 | 232 | 1317 |
| <I/σ(I)> | 16.77 | 65.5 | 1.14 |
| Completeness [%] | 100.0 | 98.7 | 100 |
| Redundancy | 21.9 | 22.4 |
Crystallization Conditions
| crystal ID | method | pH | temperature | details |
| 1 | VAPOR DIFFUSION, SITTING DROP | 4.6 | 293 | 0.08 M Sodium acetate, pH 4.6, 20% (v/v) Glycerol |
