3VCD
Computationally Designed Self-assembling Octahedral Cage protein, O333, 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 | CCD |
Collection date | 2011-10-16 |
Detector | ADSC QUANTUM 315 |
Wavelength(s) | 0.9794 |
Spacegroup name | H 3 2 |
Unit cell lengths | 137.920, 137.920, 560.570 |
Unit cell angles | 90.00, 90.00, 120.00 |
Refinement procedure
Resolution | 81.740 - 2.350 |
R-factor | 0.1821 |
Rwork | 0.180 |
R-free | 0.21290 |
Structure solution method | MOLECULAR REPLACEMENT |
RMSD bond length | 0.010 |
RMSD bond angle | 1.170 |
Data reduction software | DENZO |
Data scaling software | SCALEPACK |
Phasing software | PHASER (2.1.4) |
Refinement software | BUSTER-TNT |
Data quality characteristics
Overall | Inner shell | Outer shell | |
Low resolution limit [Å] | 100.000 | 100.000 | 2.430 |
High resolution limit [Å] | 2.350 | 5.060 | 2.350 |
Rmerge | 0.066 | 0.040 | 0.509 |
Number of reflections | 81734 | ||
<I/σ(I)> | 14.4 | ||
Completeness [%] | 95.0 | 99.2 | 88.5 |
Redundancy | 6.9 | 8.2 | 3.7 |
Crystallization Conditions
crystal ID | method | pH | temperature | details |
1 | VAPOR DIFFUSION, HANGING DROP | 4.5 | 298 | 0.8M sodium phosphate monobasic, 1.2M potassium phosphate dibasic, 0.1 M sodium acetate, pH 4.5, 10 mM L-proline, crystal soaked in 2M lithium sulfate as cryoprotectant, VAPOR DIFFUSION, HANGING DROP, temperature 298K |