5CWK
Crystal structure of de novo designed helical repeat protein DHR53
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 | C 1 2 1 |
| Unit cell lengths | 127.380, 24.340, 60.440 |
| Unit cell angles | 90.00, 116.86, 90.00 |
Refinement procedure
| Resolution | 32.466 - 1.900 |
| R-factor | 0.2097 |
| Rwork | 0.208 |
| R-free | 0.23600 |
| Structure solution method | MOLECULAR REPLACEMENT |
| RMSD bond length | 0.003 |
| RMSD bond angle | 0.644 |
| 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 | 1.950 | |
| High resolution limit [Å] | 1.900 | 8.500 | 1.900 |
| Rmerge | 0.048 | 0.022 | 1.668 |
| Rmeas | 0.057 | 0.027 | 1.967 |
| Total number of observations | 46741 | ||
| Number of reflections | 13327 | 140 | 949 |
| <I/σ(I)> | 13.15 | 36.88 | 0.99 |
| Completeness [%] | 98.3 | 75.7 | 99.2 |
| Redundancy | 3.5 | 3.6 |
Crystallization Conditions
| crystal ID | method | pH | temperature | details |
| 1 | VAPOR DIFFUSION, SITTING DROP | 2.2 | 293 | 26% (w/v) PEG 6000, 0.1 M Sodium citrate, pH 2.2 |
