2JGO
Structure of the arsenated de novo designed peptide Coil Ser L9C
Experimental procedure
Experimental method | SINGLE WAVELENGTH |
Source type | SYNCHROTRON |
Source details | APS BEAMLINE 32-ID |
Synchrotron site | APS |
Beamline | 32-ID |
Temperature [K] | 93 |
Detector technology | CCD |
Collection date | 2005-02-25 |
Detector | ADSC CCD |
Spacegroup name | C 1 2 1 |
Unit cell lengths | 77.284, 29.416, 44.197 |
Unit cell angles | 90.00, 119.49, 90.00 |
Refinement procedure
Resolution | 13.740 - 1.810 |
R-factor | 0.20114 |
Rwork | 0.198 |
R-free | 0.25665 |
Structure solution method | MOLECULAR REPLACEMENT |
Starting model (for MR) | 1coi |
Data reduction software | HKL-2000 |
Data scaling software | SCALEPACK |
Phasing software | GENPAT |
Refinement software | REFMAC (6.0) |
Data quality characteristics
Overall | Outer shell | |
Low resolution limit [Å] | 13.700 | 1.860 |
High resolution limit [Å] | 1.800 | 1.800 |
Rmerge | 0.050 | 0.160 |
Number of reflections | 8137 | |
<I/σ(I)> | 10 | 3 |
Completeness [%] | 98.6 | 90.6 |
Redundancy | 7 | 5 |
Crystallization Conditions
crystal ID | method | pH | temperature | details |
1 | 8 | 100 MM IMIDAZOLE PH 8.0 200 MM ZINC ACETATE 30% V/V PEG-400 |