6ATM
Exploring Cystine Dense Peptide Space to Open a Unique Molecular Toolbox
Experimental procedure
| Experimental method | SINGLE WAVELENGTH |
| Source type | ROTATING ANODE |
| Source details | RIGAKU MICROMAX-007 HF |
| Temperature [K] | 100 |
| Detector technology | CCD |
| Collection date | 2016-08-23 |
| Detector | RIGAKU SATURN 944+ |
| Wavelength(s) | 1.54 |
| Spacegroup name | C 2 2 21 |
| Unit cell lengths | 43.831, 50.750, 27.657 |
| Unit cell angles | 90.00, 90.00, 90.00 |
Refinement procedure
| Resolution | 33.170 - 2.090 |
| R-factor | 0.1565 |
| Rwork | 0.152 |
| R-free | 0.23571 |
| Structure solution method | MOLECULAR REPLACEMENT |
| RMSD bond length | 0.017 |
| RMSD bond angle | 1.623 |
| Data reduction software | HKL-2000 (708c) |
| Data scaling software | HKL-2000 (708c) |
| Phasing software | PHASER |
| Refinement software | REFMAC (5.8.0158) |
Data quality characteristics
| Overall | Outer shell | |
| Low resolution limit [Å] | 50.000 | 2.130 |
| High resolution limit [Å] | 2.090 | 2.090 |
| Rmerge | 0.040 | |
| Rpim | 0.028 | |
| Number of reflections | 6993 | 289 |
| <I/σ(I)> | 51.05 | 1.2 |
| Completeness [%] | 99.0 | 89.8 |
| Redundancy | 3.7 | 2.9 |
| CC(1/2) | 0.995 |
Crystallization Conditions
| crystal ID | method | pH | temperature | details |
| 1 | VAPOR DIFFUSION | 7.2 | 289 | 1.6M tri-Na Citrate |
