5N02
Crystal structure of the decarboxylase AibA/AibB C56S variant
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 | 2014-05-27 |
Detector | DECTRIS PILATUS 6M |
Wavelength(s) | 0.9184 |
Spacegroup name | P 1 21 1 |
Unit cell lengths | 66.565, 93.754, 90.204 |
Unit cell angles | 90.00, 104.21, 90.00 |
Refinement procedure
Resolution | 46.730 - 1.900 |
R-factor | 0.1443 |
Rwork | 0.143 |
R-free | 0.17250 |
Structure solution method | FOURIER SYNTHESIS |
Starting model (for MR) | 5mzw |
RMSD bond length | 0.005 |
RMSD bond angle | 0.757 |
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] | 46.880 | 46.880 | 1.930 |
High resolution limit [Å] | 1.900 | 10.050 | 1.900 |
Rmerge | 0.109 | 0.029 | 0.611 |
Rmeas | 0.117 | ||
Rpim | 0.044 | ||
Total number of observations | 582277 | ||
Number of reflections | 84539 | ||
<I/σ(I)> | 13.6 | ||
Completeness [%] | 99.9 | 98.5 | 99.7 |
Redundancy | 6.9 | 6.5 | 7 |
CC(1/2) | 0.998 | 0.999 | 0.833 |
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 |