6AU7
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 | 2016-09-01 |
Detector | RIGAKU SATURN 944 |
Wavelength(s) | 1.54 |
Spacegroup name | C 1 2 1 |
Unit cell lengths | 50.173, 48.146, 50.271 |
Unit cell angles | 90.00, 107.02, 90.00 |
Refinement procedure
Resolution | 48.070 - 1.900 |
R-factor | 0.2031 |
Rwork | 0.202 |
R-free | 0.21869 |
Structure solution method | MOLECULAR REPLACEMENT |
Starting model (for MR) | 1j5j |
RMSD bond length | 0.013 |
RMSD bond angle | 1.471 |
Data reduction software | HKL-2000 |
Data scaling software | HKL-2000 |
Phasing software | PHASER |
Refinement software | REFMAC (5.8.0155) |
Data quality characteristics
Overall | Outer shell | |
Low resolution limit [Å] | 50.000 | 1.970 |
High resolution limit [Å] | 1.900 | 1.900 |
Rmerge | 0.087 | 0.215 |
Number of reflections | 7571 | 195 |
<I/σ(I)> | 14.3 | 8.5 |
Completeness [%] | 83.1 | 11.7 |
Redundancy | 11.7 | 1.7 |
Crystallization Conditions
crystal ID | method | pH | temperature | details |
1 | VAPOR DIFFUSION, SITTING DROP | 298 | 0.17M AmSO4, 25.5% PEG 4000 |