6XNF
GCN4-p1 Peptide Trimer with Tetrafluoroiodophenylalanine residue at position 16 (TFI-F16)
Experimental procedure
Experimental method | SINGLE WAVELENGTH |
Source type | ROTATING ANODE |
Source details | RIGAKU MICROMAX-003 |
Temperature [K] | 100 |
Detector technology | PIXEL |
Collection date | 2017-08-08 |
Detector | DECTRIS PILATUS 200K |
Wavelength(s) | 1.5418 |
Spacegroup name | C 1 2 1 |
Unit cell lengths | 59.650, 35.190, 47.020 |
Unit cell angles | 90.00, 100.65, 90.00 |
Refinement procedure
Resolution | 46.210 - 2.000 |
R-factor | 0.2002 |
Rwork | 0.197 |
R-free | 0.25370 |
Structure solution method | MOLECULAR REPLACEMENT |
Starting model (for MR) | 1swi |
RMSD bond length | 0.008 |
RMSD bond angle | 1.070 |
Data reduction software | HKL-2000 |
Data scaling software | Aimless |
Phasing software | PHENIX (1.16_3549) |
Refinement software | PHENIX (1.16_3549) |
Data quality characteristics
Overall | Outer shell | |
Low resolution limit [Å] | 46.210 | 2.072 |
High resolution limit [Å] | 2.000 | 2.000 |
Rmerge | 0.098 | 0.758 |
Rmeas | 0.107 | 0.338 |
Rpim | 0.042 | 0.833 |
Number of reflections | 43081 | 3998 |
<I/σ(I)> | 11.38 | 2.69 |
Completeness [%] | 99.5 | 99.4 |
Redundancy | 6.5 | 6 |
CC(1/2) | 0.996 | 0.766 |
Crystallization Conditions
crystal ID | method | pH | temperature | details |
1 | VAPOR DIFFUSION, HANGING DROP | 7 | 298 | Crystallization drops were prepared by mixing 2 uL of stock peptide solution with 2 uL of mother liquor and allowed to equilibrate at 298 K over a well containing 500 uL of mother liquor. The stock peptide solution (total concentration 1.5 mM) was prepared by mixing 2:1 ratios of the A16 peptide with TFI-F16 in 10 mM potassium phosphate, 100 mM potassium chloride pH 7.0. |