5DII
Structure of an engineered bacterial microcompartment shell protein binding a [4Fe-4S] cluster
Experimental procedure
| Experimental method | SINGLE WAVELENGTH |
| Source type | SYNCHROTRON |
| Source details | ALS BEAMLINE 5.0.3 |
| Synchrotron site | ALS |
| Beamline | 5.0.3 |
| Temperature [K] | 100 |
| Detector technology | CCD |
| Collection date | 2015-06-26 |
| Detector | ADSC QUANTUM 315r |
| Wavelength(s) | 0.977408 |
| Spacegroup name | P 1 |
| Unit cell lengths | 42.897, 55.558, 117.930 |
| Unit cell angles | 83.45, 81.22, 86.95 |
Refinement procedure
| Resolution | 38.625 - 1.804 |
| R-factor | 0.1886 |
| Rwork | 0.188 |
| R-free | 0.21840 |
| Structure solution method | MOLECULAR REPLACEMENT |
| Starting model (for MR) | 5dih |
| RMSD bond length | 0.010 |
| RMSD bond angle | 1.401 |
| Data reduction software | XDS |
| Data scaling software | SCALA |
| Phasing software | PHASER |
| Refinement software | PHENIX (1.9_1690) |
Data quality characteristics
| Overall | Outer shell | |
| Low resolution limit [Å] | 38.625 | 1.870 |
| High resolution limit [Å] | 1.800 | 1.800 |
| Rmerge | 0.054 | 0.610 |
| Number of reflections | 176094 | |
| <I/σ(I)> | 11.3 | 1.4 |
| Completeness [%] | 96.6 | 91.3 |
| Redundancy | 2.1 | 2 |
Crystallization Conditions
| crystal ID | method | pH | temperature | details |
| 1 | VAPOR DIFFUSION, SITTING DROP | 298 | 250mM Na acetate trihydrate, 100mM Tris pH 8.5, 26% PEG 4000 |
