5N00
Crystal structure of the decarboxylase AibA/AibB C56A variant
Experimental procedure
| Experimental method | SINGLE WAVELENGTH |
| Source type | SYNCHROTRON |
| Source details | SLS BEAMLINE X06DA |
| Synchrotron site | SLS |
| Beamline | X06DA |
| Temperature [K] | 100 |
| Detector technology | PIXEL |
| Collection date | 2014-02-14 |
| Detector | DECTRIS PILATUS 2M-F |
| Wavelength(s) | 1.000 |
| Spacegroup name | P 1 21 1 |
| Unit cell lengths | 66.947, 93.482, 90.846 |
| Unit cell angles | 90.00, 104.49, 90.00 |
Refinement procedure
| Resolution | 46.880 - 1.900 |
| R-factor | 0.1516 |
| Rwork | 0.150 |
| R-free | 0.18540 |
| Structure solution method | FOURIER SYNTHESIS |
| Starting model (for MR) | 5mzw |
| RMSD bond length | 0.005 |
| RMSD bond angle | 0.770 |
| Data reduction software | XDS |
| Data scaling software | Aimless (0.1.29) |
| Phasing software | PHENIX |
| Refinement software | PHENIX (1.10.1_2155) |
Data quality characteristics
| Overall | Inner shell | Outer shell | |
| Low resolution limit [Å] | 46.880 | 46.880 | 1.930 |
| High resolution limit [Å] | 1.900 | 10.050 | 1.900 |
| Rmerge | 0.111 | 0.049 | 0.633 |
| Rmeas | 0.120 | ||
| Rpim | 0.047 | ||
| Total number of observations | 545067 | ||
| Number of reflections | 85333 | ||
| <I/σ(I)> | 11 | ||
| Completeness [%] | 100.0 | 98.8 | 99.9 |
| Redundancy | 6.4 | 5.9 | 5.1 |
| CC(1/2) | 0.997 | 0.999 | 0.794 |
Crystallization Conditions
| crystal ID | method | pH | temperature | details |
| 1 | VAPOR DIFFUSION, HANGING DROP | 293 | 0.085 M sodium acetate, 0.17 M ammonium acetate, 15 % glycerol, 25 % PEG4000 |
