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 |