4I61
Crystal structure of a trimeric bacterial microcompartment shell protein PduB
Experimental procedure
| Experimental method | SINGLE WAVELENGTH |
| Source type | SYNCHROTRON |
| Source details | DIAMOND BEAMLINE I04 |
| Synchrotron site | Diamond |
| Beamline | I04 |
| Temperature [K] | 100 |
| Detector technology | CCD |
| Collection date | 2012-09-20 |
| Detector | ADSC QUANTUM 315r |
| Wavelength(s) | 0.9795 |
| Spacegroup name | C 2 2 21 |
| Unit cell lengths | 69.010, 119.550, 147.090 |
| Unit cell angles | 90.00, 90.00, 90.00 |
Refinement procedure
| Resolution | 59.770 - 1.640 |
| R-factor | 0.15519 |
| Rwork | 0.153 |
| R-free | 0.20028 |
| Structure solution method | MOLECULAR REPLACEMENT |
| Starting model (for MR) | 4fay |
| RMSD bond length | 0.025 |
| RMSD bond angle | 1.982 |
| Data reduction software | XDS |
| Data scaling software | SCALA |
| Phasing software | PHENIX |
| Refinement software | REFMAC (5.5.0109) |
Data quality characteristics
| Overall | Outer shell | |
| Low resolution limit [Å] | 59.770 | 1.680 |
| High resolution limit [Å] | 1.640 | 1.640 |
| Rmerge | 0.131 | 0.703 |
| Number of reflections | 74480 | |
| <I/σ(I)> | 0.102 | 2.2 |
| Completeness [%] | 99.8 | 99.8 |
| Redundancy | 4.9 | 4.9 |
Crystallization Conditions
| crystal ID | method | pH | temperature | details |
| 1 | VAPOR DIFFUSION, HANGING DROP | 6.5 | 292 | 0.1 M sodium cacodylate, 1.4 M sodium acetate, pH 6.5, VAPOR DIFFUSION, HANGING DROP, temperature 292K |
