6AVA
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 | 2015-07-02 |
Detector | RIGAKU SATURN 944 |
Wavelength(s) | 1.54 |
Spacegroup name | P 43 21 2 |
Unit cell lengths | 41.437, 41.437, 88.093 |
Unit cell angles | 90.00, 90.00, 90.00 |
Refinement procedure
Resolution | 37.500 - 2.200 |
R-factor | 0.17545 |
Rwork | 0.172 |
R-free | 0.23558 |
Structure solution method | MOLECULAR REPLACEMENT |
Starting model (for MR) | 1sis |
RMSD bond length | 0.008 |
RMSD bond angle | 1.337 |
Data reduction software | HKL-2000 |
Data scaling software | HKL-2000 |
Phasing software | PHASER |
Refinement software | REFMAC (5.8.0124) |
Data quality characteristics
Overall | Outer shell | |
Low resolution limit [Å] | 50.000 | 2.260 |
High resolution limit [Å] | 2.200 | 2.200 |
Rmerge | 0.124 | 0.348 |
Rpim | 0.021 | 0.049 |
Number of reflections | 4317 | 409 |
<I/σ(I)> | 44.9 | 26.7 |
Completeness [%] | 100.0 | 100 |
Redundancy | 58.4 | 59.5 |
CC(1/2) | 0.993 |
Crystallization Conditions
crystal ID | method | pH | temperature | details |
1 | VAPOR DIFFUSION, SITTING DROP | 4.5 | 298 | 100 mM Na Acetate pH 4.5, 600 mM AmPO4 |