5N03
Crystal structure of the decarboxylase AibA/AibB C56V 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 | 2014-03-03 |
Detector | RIGAKU SATURN 944 |
Wavelength(s) | 1.54 |
Spacegroup name | P 1 21 1 |
Unit cell lengths | 66.999, 93.246, 91.061 |
Unit cell angles | 90.00, 104.41, 90.00 |
Refinement procedure
Resolution | 19.536 - 2.100 |
R-factor | 0.1678 |
Rwork | 0.166 |
R-free | 0.19830 |
Structure solution method | FOURIER SYNTHESIS |
Starting model (for MR) | 5mzw |
RMSD bond length | 0.002 |
RMSD bond angle | 0.543 |
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] | 19.540 | 19.540 | 2.100 |
High resolution limit [Å] | 2.050 | 9.620 | 2.050 |
Rmerge | 0.164 | 0.031 | 0.508 |
Rmeas | 0.187 | 0.036 | 0.612 |
Rpim | 0.090 | 0.018 | 0.331 |
Total number of observations | 284760 | 2519 | 13791 |
Number of reflections | 67504 | ||
<I/σ(I)> | 9.8 | 47 | 2.6 |
Completeness [%] | 99.2 | 88.1 | 92.1 |
Redundancy | 4.2 | 4.1 | 3.3 |
CC(1/2) | 0.986 | 0.999 | 0.712 |
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 |