5MZY
Crystal structure of the decarboxylase AibA/AibB in complex with a possible transition state analog
Experimental procedure
| Experimental method | SINGLE WAVELENGTH |
| Source type | SYNCHROTRON |
| Source details | BESSY BEAMLINE 14.1 |
| Synchrotron site | BESSY |
| Beamline | 14.1 |
| Temperature [K] | 100 |
| Detector technology | PIXEL |
| Collection date | 2014-10-16 |
| Detector | DECTRIS PILATUS 6M |
| Wavelength(s) | 0.9184 |
| Spacegroup name | P 1 21 1 |
| Unit cell lengths | 66.940, 93.368, 90.660 |
| Unit cell angles | 90.00, 104.28, 90.00 |
Refinement procedure
| Resolution | 41.940 - 1.600 |
| R-factor | 0.1446 |
| Rwork | 0.144 |
| R-free | 0.16290 |
| Structure solution method | FOURIER SYNTHESIS |
| Starting model (for MR) | 5mzw |
| RMSD bond length | 0.008 |
| RMSD bond angle | 0.988 |
| Data reduction software | XDS |
| Data scaling software | Aimless (0.3.11) |
| Phasing software | PHENIX |
| Refinement software | PHENIX (1.10.1_2155) |
Data quality characteristics
| Overall | Inner shell | Outer shell | |
| Low resolution limit [Å] | 41.940 | 41.940 | 1.630 |
| High resolution limit [Å] | 1.600 | 8.760 | 1.600 |
| Rmerge | 0.097 | 0.032 | 0.653 |
| Rmeas | 0.106 | 0.035 | 0.708 |
| Rpim | 0.041 | 0.013 | 0.270 |
| Total number of observations | 929533 | ||
| Number of reflections | 142059 | ||
| <I/σ(I)> | 14.4 | ||
| Completeness [%] | 99.9 | 98.8 | 100 |
| Redundancy | 6.5 | 6.6 | 6.7 |
| CC(1/2) | 0.998 | 0.999 | 0.864 |
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 |
