6G3F
Crystal structure of EDDS lyase in complex with fumarate
Experimental procedure
Experimental method | SINGLE WAVELENGTH |
Source type | ROTATING ANODE |
Source details | BRUKER AXS MICROSTAR |
Temperature [K] | 110 |
Detector technology | IMAGE PLATE |
Collection date | 2013-03-06 |
Detector | MAR scanner 345 mm plate |
Wavelength(s) | 1.54 |
Spacegroup name | F 2 2 2 |
Unit cell lengths | 145.566, 146.017, 152.434 |
Unit cell angles | 90.00, 90.00, 90.00 |
Refinement procedure
Resolution | 52.637 - 2.222 |
R-factor | 0.1696 |
Rwork | 0.168 |
R-free | 0.19430 |
Structure solution method | MOLECULAR REPLACEMENT |
Starting model (for MR) | 6g3d |
RMSD bond length | 0.003 |
RMSD bond angle | 0.543 |
Data reduction software | XDS |
Data scaling software | Aimless |
Phasing software | PHASER |
Refinement software | PHENIX ((1.10.1_2155: ???)) |
Data quality characteristics
Overall | Outer shell | |
Low resolution limit [Å] | 52.700 | 2.270 |
High resolution limit [Å] | 2.220 | 2.220 |
Rmerge | 0.035 | 0.098 |
Number of reflections | 39635 | |
<I/σ(I)> | 26 | 9.5 |
Completeness [%] | 99.3 | 95.1 |
Redundancy | 3.7 | 3.4 |
Crystallization Conditions
crystal ID | method | pH | temperature | details |
1 | VAPOR DIFFUSION, SITTING DROP | 6.5 | 295 | 0.1 M sodium cacodylate pH 6.5, 0.2-0.3 M sodium fumarate |