6G3E
Crystal structure of EDDS lyase in complex with formate
Experimental procedure
| Experimental method | SINGLE WAVELENGTH |
| Source type | ROTATING ANODE |
| Source details | BRUKER AXS MICROSTAR |
| Temperature [K] | 110 |
| Detector technology | IMAGE PLATE |
| Collection date | 2012-10-03 |
| Detector | MAR scanner 345 mm plate |
| Wavelength(s) | 1.54 |
| Spacegroup name | F 2 2 2 |
| Unit cell lengths | 143.440, 144.330, 145.810 |
| Unit cell angles | 90.00, 90.00, 90.00 |
Refinement procedure
| Resolution | 19.991 - 1.900 |
| R-factor | 0.1457 |
| Rwork | 0.145 |
| R-free | 0.16580 |
| Structure solution method | MOLECULAR REPLACEMENT |
| Starting model (for MR) | 6g3d |
| RMSD bond length | 0.004 |
| RMSD bond angle | 0.917 |
| Data reduction software | XDS |
| Data scaling software | Aimless |
| Phasing software | PHASER |
| Refinement software | PHENIX (1.9_1692) |
Data quality characteristics
| Overall | Outer shell | |
| Low resolution limit [Å] | 41.700 | 1.930 |
| High resolution limit [Å] | 1.900 | 1.900 |
| Rmerge | 0.150 | 0.730 |
| Number of reflections | 58476 | |
| <I/σ(I)> | 6.9 | 2.6 |
| Completeness [%] | 99.3 | 97.5 |
| Redundancy | 3.7 | 6.5 |
Crystallization Conditions
| crystal ID | method | pH | temperature | details |
| 1 | VAPOR DIFFUSION, SITTING DROP | 6.5 | 295 | 0.1 M sodium cacodylate pH 6.5 and 2.0 M sodium formate |
