4NWP
Computationally Designed Two-Component Self-Assembling Tetrahedral Cage, T33-21, Crystallized in Space Group R32
Experimental procedure
| Experimental method | SINGLE WAVELENGTH |
| Source type | SYNCHROTRON |
| Source details | APS BEAMLINE 24-ID-C |
| Synchrotron site | APS |
| Beamline | 24-ID-C |
| Temperature [K] | 100 |
| Detector technology | PIXEL |
| Collection date | 2013-06-08 |
| Detector | DECTRIS PILATUS 6M |
| Spacegroup name | H 3 2 |
| Unit cell lengths | 113.350, 113.350, 634.880 |
| Unit cell angles | 90.00, 90.00, 120.00 |
Refinement procedure
| Resolution | 93.780 - 2.100 |
| R-factor | 0.191 |
| Rwork | 0.188 |
| R-free | 0.21800 |
| Structure solution method | MOLECULAR REPLACEMENT |
| Starting model (for MR) | 1WY1 AND 3E6Q |
| RMSD bond length | 0.004 |
| RMSD bond angle | 0.667 |
| Data reduction software | XDS |
| Data scaling software | XSCALE |
| Phasing software | PHASER (2.5.2) |
| Refinement software | PHENIX (1.8.4_1496) |
Data quality characteristics
| Overall | Outer shell | |
| Low resolution limit [Å] | 93.782 | 2.150 |
| High resolution limit [Å] | 2.100 | 2.100 |
| Rmerge | 0.110 | 1.248 |
| Number of reflections | 92425 | |
| <I/σ(I)> | 14.99 | 2.74 |
| Completeness [%] | 99.9 | 100 |
| Redundancy | 9.75 | 9.8 |
Crystallization Conditions
| crystal ID | method | pH | temperature | details |
| 1 | 5 | 298 | 100 mM citric acid pH 5.0, 800 mM (NH4)2 SO4, vapor diffusion, hanging drop, temperature 298K |
