7P3H
Peptide HC02 - Lanthanide Selectivity Engineered into Structurally Characterized Designed Coiled Coils
Experimental procedure
Experimental method | SINGLE WAVELENGTH |
Source type | SYNCHROTRON |
Source details | DIAMOND BEAMLINE I04-1 |
Synchrotron site | Diamond |
Beamline | I04-1 |
Temperature [K] | 100 |
Detector technology | PIXEL |
Collection date | 2016-09-24 |
Detector | DECTRIS PILATUS 6M-F |
Wavelength(s) | 0.92819 |
Spacegroup name | H 3 |
Unit cell lengths | 103.040, 103.040, 46.880 |
Unit cell angles | 90.00, 90.00, 120.00 |
Refinement procedure
Resolution | 41.500 - 2.100 |
R-factor | 0.2109 |
Rwork | 0.210 |
R-free | 0.23390 |
Structure solution method | MOLECULAR REPLACEMENT |
Starting model (for MR) | unpublished data |
RMSD bond length | 0.009 |
RMSD bond angle | 1.008 |
Data reduction software | MOSFLM |
Data scaling software | Aimless |
Phasing software | PHASER |
Refinement software | PHENIX (v1.17.1) |
Data quality characteristics
Overall | Outer shell | |
Low resolution limit [Å] | 41.500 | 2.175 |
High resolution limit [Å] | 2.100 | 2.100 |
Rmerge | 0.076 | 0.450 |
Rmeas | 0.085 | 0.508 |
Rpim | 0.039 | 0.232 |
Number of reflections | 49925 | 1075 |
<I/σ(I)> | 13.24 | |
Completeness [%] | 99.9 | 99.72 |
Redundancy | 4.6 | 4.8 |
CC(1/2) | 0.993 | 0.927 |
Crystallization Conditions
crystal ID | method | pH | temperature | details |
1 | VAPOR DIFFUSION, SITTING DROP | 291 | Drop solution: 16 mg mL-1 synthetic peptide HC02, 6 mM TbCl3 and 5 mM Zn(OAc)2) Reservoir solution: 0.21 M NH4Cl, 25% PEG3350 |