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 |