1L4X
Octameric de novo designed peptide
Experimental procedure
Experimental method | SINGLE WAVELENGTH |
Source type | ROTATING ANODE |
Source details | ELLIOTT GX-20 |
Temperature [K] | 100 |
Detector technology | IMAGE PLATE |
Collection date | 2001-02-23 |
Detector | MARRESEARCH |
Wavelength(s) | 1.5418 |
Spacegroup name | P 31 2 1 |
Unit cell lengths | 56.628, 56.628, 113.869 |
Unit cell angles | 90.00, 90.00, 120.00 |
Refinement procedure
Resolution | 30.020 - 2.000 |
Rwork | 0.242 |
R-free | 0.27800 |
Structure solution method | SIR |
RMSD bond length | 0.010 |
RMSD bond angle | 1.200 |
Data reduction software | DENZO |
Data scaling software | CCP4 ((TRUNCATE)) |
Phasing software | SHARP |
Refinement software | CNS |
Data quality characteristics
Overall | Outer shell | |
Low resolution limit [Å] | 50.000 | 2.060 |
High resolution limit [Å] | 2.000 | 2.000 |
Rmerge | 0.074 | 0.463 |
Number of reflections | 14176 | |
<I/σ(I)> | 13.2 | 3.3 |
Completeness [%] | 96.4 * | 83.3 |
Redundancy | 7.7 | 4.1 |
Crystallization Conditions
crystal ID | method | pH | temperature | details |
1 | VAPOR DIFFUSION, HANGING DROP | 9 * | magnesium sulphate; sodium acetate or bicine, pH 4.6, VAPOR DIFFUSION, HANGING DROP, temperature 100K | |
1 | VAPOR DIFFUSION, HANGING DROP | 9 * | magnesium sulphate; sodium acetate or bicine, pH 4.6, VAPOR DIFFUSION, HANGING DROP, temperature 100K | |
1 | VAPOR DIFFUSION, HANGING DROP | 9 * | magnesium sulphate; sodium acetate or bicine, pH 4.6, VAPOR DIFFUSION, HANGING DROP, temperature 100K |
Crystallization Reagents in Literatures
ID | crystal ID | solution | reagent name | concentration (unit) | details |
1 | 1 | reservoir | Bicine | 100 (mM) | pH9.0 |
2 | 1 | drop | protein | 60 (mg/ml) |