6RX8
EDDS lyase variant D290M/Y320M with bound fumarate
Experimental procedure
Experimental method | SINGLE WAVELENGTH |
Source type | ROTATING ANODE |
Source details | BRUKER AXS MICROSTAR |
Temperature [K] | 100 |
Detector technology | IMAGE PLATE |
Collection date | 2018-11-06 |
Detector | MAR scanner 345 mm plate |
Wavelength(s) | 1.5418 |
Spacegroup name | F 2 2 2 |
Unit cell lengths | 143.160, 144.230, 144.451 |
Unit cell angles | 90.00, 90.00, 90.00 |
Refinement procedure
Resolution | 22.836 - 1.920 |
R-factor | 0.1892 |
Rwork | 0.188 |
R-free | 0.22060 |
Structure solution method | MOLECULAR REPLACEMENT |
Starting model (for MR) | 6g3d |
Data reduction software | XDS |
Data scaling software | Aimless (0.7.3) |
Phasing software | PHASER |
Refinement software | PHENIX (1.14rc1_3161) |
Data quality characteristics
Overall | Inner shell | Outer shell | |
Low resolution limit [Å] | 23.970 | 23.970 | 1.970 |
High resolution limit [Å] | 1.920 | 9.010 | 1.920 |
Rmerge | 0.106 | 0.025 | 0.785 |
Rmeas | 0.118 | 0.029 | 0.886 |
Rpim | 0.051 | 0.013 | 0.403 |
Total number of observations | 287231 | 2774 | 14164 |
Number of reflections | 56145 | 571 | 3239 |
<I/σ(I)> | 9.5 | 29 | 1.3 |
Completeness [%] | 98.9 | 94.2 | 85.8 |
Redundancy | 5.1 | 4.9 | 4.4 |
CC(1/2) | 0.997 | 0.999 | 0.778 |
Crystallization Conditions
crystal ID | method | pH | temperature | details |
1 | VAPOR DIFFUSION, HANGING DROP | 6.5 | 293 | 0.3 M sodium fumarate and 100 mM Bis-Tris propane, pH 6.5 |