6AVC
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 | 2015-07-21 |
Detector | RIGAKU SATURN 944 |
Wavelength(s) | 1.54 |
Spacegroup name | P 32 2 1 |
Unit cell lengths | 43.454, 43.454, 32.078 |
Unit cell angles | 90.00, 90.00, 120.00 |
Refinement procedure
Resolution | 37.630 - 1.880 |
R-factor | 0.16449 |
Rwork | 0.161 |
R-free | 0.23813 |
Structure solution method | MOLECULAR REPLACEMENT |
Starting model (for MR) | 1c49 |
RMSD bond length | 0.020 |
RMSD bond angle | 1.611 |
Data reduction software | HKL-2000 |
Data scaling software | HKL-2000 |
Phasing software | PHASER |
Refinement software | REFMAC (5.8.0158) |
Data quality characteristics
Overall | Outer shell | |
Low resolution limit [Å] | 50.000 | 1.950 |
High resolution limit [Å] | 1.880 | 1.880 |
Rmerge | 0.100 | 0.415 |
Rpim | 0.013 | 0.421 |
Number of reflections | 2578 | 108 |
<I/σ(I)> | 59.3 | 16.2 |
Completeness [%] | 85.2 | 38 |
Redundancy | 57.7 | 40.4 |
CC(1/2) | 0.983 |
Crystallization Conditions
crystal ID | method | pH | temperature | details |
1 | VAPOR DIFFUSION, SITTING DROP | 7 | 298 | 200 mM Na Malonate pH 7, 17% PEG 3350 |