5U35
Crystal structure of a de novo designed protein with curved beta-sheet
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 | 2016-10-26 |
| Detector | ADSC QUANTUM 315 |
| Wavelength(s) | 0.999857 |
| Spacegroup name | P 1 21 1 |
| Unit cell lengths | 38.010, 33.200, 86.590 |
| Unit cell angles | 90.00, 91.78, 90.00 |
Refinement procedure
| Resolution | 43.274 - 1.800 |
| R-factor | 0.2061 |
| Rwork | 0.201 |
| R-free | 0.24690 |
| Structure solution method | MOLECULAR REPLACEMENT |
| RMSD bond length | 0.004 |
| RMSD bond angle | 0.762 |
| Data reduction software | iMOSFLM |
| Data scaling software | SCALA |
| Phasing software | PHASER |
| Refinement software | PHENIX (dev_1616) |
Data quality characteristics
| Overall | Outer shell | |
| Low resolution limit [Å] | 43.270 | 1.900 |
| High resolution limit [Å] | 1.800 | 1.800 |
| Rmerge | 0.108 | |
| Number of reflections | 20381 | |
| <I/σ(I)> | 7.8 | 1.8 |
| Completeness [%] | 99.9 | 99.8 |
| Redundancy | 4.3 | 4.3 |
| CC(1/2) | 0.992 | 0.505 |
Crystallization Conditions
| crystal ID | method | pH | temperature | details |
| 1 | VAPOR DIFFUSION, HANGING DROP | 7.5 | 293.15 | 0.3M Sodium fluoride, 0.3M Sodium bromide, 0.3M Sodium iodide, 0.1M Sodium HEPES, MOPS (acid) pH=7.5, 20% v/v PEG 500 MME, 10 % w/v PEG 20000 |
