3OL0
Crystal structure of Monofoil-4P homo-trimer: de novo designed monomer trefoil-fold sub-domain which forms homo-trimer assembly
Experimental procedure
| Experimental method | SINGLE WAVELENGTH |
| Source type | SYNCHROTRON |
| Source details | NSLS BEAMLINE X29A |
| Synchrotron site | NSLS |
| Beamline | X29A |
| Temperature [K] | 100 |
| Detector technology | CCD |
| Collection date | 2010-08-23 |
| Detector | ADSC QUANTUM 315 |
| Wavelength(s) | 1.075 |
| Spacegroup name | P 21 21 21 |
| Unit cell lengths | 49.520, 53.478, 65.868 |
| Unit cell angles | 90.00, 90.00, 90.00 |
Refinement procedure
| Resolution | 41.517 - 1.483 |
| R-factor | 0.1817 |
| Rwork | 0.180 |
| R-free | 0.20350 |
| Structure solution method | MOLECULAR REPLACEMENT |
| RMSD bond length | 0.006 |
| RMSD bond angle | 1.069 |
| Data reduction software | HKL-2000 |
| Data scaling software | HKL-2000 |
| Phasing software | PHASES |
| Refinement software | PHENIX ((phenix.refine: 1.6.4_486)) |
Data quality characteristics
| Overall | Outer shell | |
| Low resolution limit [Å] | 50.000 | 1.510 |
| High resolution limit [Å] | 1.480 | 1.480 |
| Rmerge | 0.069 | 0.358 |
| Number of reflections | 29337 | |
| <I/σ(I)> | 82.4 | 8.38 |
| Completeness [%] | 99.0 | 98.8 |
| Redundancy | 19.4 | 16.6 |
Crystallization Conditions
| crystal ID | method | pH | temperature | details |
| 1 | VAPOR DIFFUSION, HANGING DROP | 5.5 | 298 | 2M AMMONIUM SULFATE, 0.1M NA CITRATE, 15MG/ML PROTEIN CONCENTRATION, Ph 5.5, VAPOR DIFFUSION, HANGING DROP, TEMPERATURE 298K |
