6RXA
EDDS lyase variant D290M/Y320M with bound formate
Experimental procedure
| Experimental method | SINGLE WAVELENGTH |
| Source type | SYNCHROTRON |
| Source details | ESRF BEAMLINE ID29 |
| Synchrotron site | ESRF |
| Beamline | ID29 |
| Temperature [K] | 100 |
| Detector technology | PIXEL |
| Collection date | 2018-10-19 |
| Detector | DECTRIS PILATUS 6M-F |
| Wavelength(s) | 1.0723 |
| Spacegroup name | F 2 2 2 |
| Unit cell lengths | 143.892, 144.936, 146.130 |
| Unit cell angles | 90.00, 90.00, 90.00 |
Refinement procedure
| Resolution | 51.265 - 1.440 |
| R-factor | 0.1728 |
| Rwork | 0.172 |
| R-free | 0.18190 |
| 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] | 71.950 | 71.950 | 1.450 |
| High resolution limit [Å] | 1.430 | 7.830 | 1.430 |
| Rmerge | 0.081 | 0.026 | 1.163 |
| Rmeas | 0.094 | 0.029 | 1.343 |
| Rpim | 0.046 | 0.014 | 0.662 |
| Total number of observations | 554372 | 3845 | 27432 |
| Number of reflections | 139233 | 928 | 6874 |
| <I/σ(I)> | 8.2 | 34.8 | 1 |
| Completeness [%] | 99.9 | 99.5 | 99.9 |
| Redundancy | 4 | 4.1 | 4 |
| CC(1/2) | 0.998 | 0.998 | 0.479 |
Crystallization Conditions
| crystal ID | method | pH | temperature | details |
| 1 | VAPOR DIFFUSION, HANGING DROP | 6.5 | 291 | 3 M sodium formate, 200 mM Bis-Tris propane, pH 6.5 |
