4FAY
Crystal structure of a trimeric bacterial microcompartment shell protein PduB with glycerol metabolites
Experimental procedure
| Experimental method | SINGLE WAVELENGTH |
| Source type | SYNCHROTRON |
| Source details | DIAMOND BEAMLINE I04-1 |
| Synchrotron site | Diamond |
| Beamline | I04-1 |
| Temperature [K] | 100 |
| Detector technology | PIXEL |
| Collection date | 2012-04-29 |
| Detector | DECTRIS PILATUS 2M |
| Wavelength(s) | 0.91730 |
| Spacegroup name | C 2 2 21 |
| Unit cell lengths | 69.865, 120.864, 145.531 |
| Unit cell angles | 90.00, 90.00, 90.00 |
Refinement procedure
| Resolution | 72.780 - 1.560 |
| R-factor | 0.174 |
| Rwork | 0.173 |
| R-free | 0.20188 |
| Structure solution method | MOLECULAR REPLACEMENT |
| Starting model (for MR) | EtuB |
| RMSD bond length | 0.020 |
| RMSD bond angle | 1.716 |
| 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] | 72.780 | 1.640 |
| High resolution limit [Å] | 1.550 | 1.550 |
| Rmerge | 0.088 | 0.908 |
| Number of reflections | 87436 | |
| <I/σ(I)> | 11.3 | 2 |
| Completeness [%] | 99.0 | 96.2 |
| Redundancy | 4.5 | 4.4 |
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 292.0K |
