5N01
Crystal structure of the decarboxylase AibA/AibB C56N variant
Experimental procedure
| Experimental method | SINGLE WAVELENGTH |
| Source type | ROTATING ANODE |
| Source details | RIGAKU MICROMAX-007 HF |
| Temperature [K] | 100 |
| Detector technology | CCD |
| Collection date | 2014-06-02 |
| Detector | RIGAKU SATURN 944 |
| Wavelength(s) | 1.54 |
| Spacegroup name | P 1 21 1 |
| Unit cell lengths | 66.769, 93.217, 90.811 |
| Unit cell angles | 90.00, 104.34, 90.00 |
Refinement procedure
| Resolution | 19.590 - 1.950 |
| R-factor | 0.1566 |
| Rwork | 0.155 |
| R-free | 0.18480 |
| Structure solution method | FOURIER SYNTHESIS |
| Starting model (for MR) | 5mzw |
| RMSD bond length | 0.004 |
| RMSD bond angle | 0.697 |
| Data reduction software | XDS |
| Data scaling software | Aimless (0.3.5) |
| Phasing software | PHENIX |
| Refinement software | PHENIX (1.10.1_2155) |
Data quality characteristics
| Overall | Inner shell | Outer shell | |
| Low resolution limit [Å] | 19.590 | 19.590 | 1.990 |
| High resolution limit [Å] | 1.950 | 9.940 | 1.950 |
| Rmerge | 0.180 | 0.046 | 0.817 |
| Rmeas | 0.193 | ||
| Rpim | 0.070 | ||
| Total number of observations | 580152 | ||
| Number of reflections | 78188 | ||
| <I/σ(I)> | 10.3 | ||
| Completeness [%] | 99.5 | 87.3 | 98.6 |
| Redundancy | 7.4 | 7.1 | 7.3 |
| CC(1/2) | 0.994 | 0.998 | 0.796 |
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 |
