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 |
