1QYS
Crystal structure of Top7: A computationally designed protein with a novel fold
Experimental procedure
| Experimental method | SAD |
| Source type | SYNCHROTRON |
| Source details | ALS BEAMLINE 8.2.1 |
| Synchrotron site | ALS |
| Beamline | 8.2.1 |
| Temperature [K] | 100 |
| Detector technology | CCD |
| Collection date | 2003-03-24 |
| Detector | ADSC QUANTUM 210 |
| Wavelength(s) | 0.9793 |
| Spacegroup name | P 32 2 1 |
| Unit cell lengths | 35.900, 35.900, 140.554 |
| Unit cell angles | 90.00, 90.00, 120.00 |
Refinement procedure
| Resolution | 18.710 - 2.500 |
| R-factor | 0.268 |
| Rwork | 0.268 |
| R-free | 0.29300 |
| Structure solution method | SAD |
| RMSD bond length | 0.008 |
| RMSD bond angle | 1.350 * |
| Data reduction software | HKL-2000 |
| Data scaling software | SCALEPACK |
| Phasing software | CNS |
| Refinement software | CNS (1.1) |
Data quality characteristics
| Overall | Outer shell | |
| Low resolution limit [Å] | 50.000 | 2.590 |
| High resolution limit [Å] | 2.500 | 2.500 |
| Rmerge | 0.045 | 0.344 |
| Total number of observations | 144933 * | |
| Number of reflections | 6989 * | |
| <I/σ(I)> | 37.8 | 5 |
| Completeness [%] | 99.1 * | 100 |
Crystallization Conditions
| crystal ID | method | pH | temperature | details |
| 1 | Vapor diffusion, hanging drop * | 6.6 | 298 | 15-20% PEG3350 250mM Ammonium Formate, pH 6.6, VAPOR DIFFUSION, HANGING DROP, STREAK SEEDING, temperature 298K |
Crystallization Reagents in Literatures
| ID | crystal ID | solution | reagent name | concentration (unit) | details |
| 1 | 1 | drop | protein | 25 (mg/ml) | |
| 2 | 1 | reservoir | PEG3350 | 15-20 (%) | |
| 3 | 1 | reservoir | ammonium formate | 250 (mM) | pH6.6 |
