5NYY
Formylglycine generating enzyme from T. curvata in complex with Cd(II)
Experimental procedure
| Experimental method | SINGLE WAVELENGTH |
| Source type | SYNCHROTRON |
| Source details | SLS BEAMLINE X06DA |
| Synchrotron site | SLS |
| Beamline | X06DA |
| Temperature [K] | 100 |
| Detector technology | PIXEL |
| Collection date | 2017-02-18 |
| Detector | DECTRIS PILATUS 2M-F |
| Wavelength(s) | 1.0 |
| Spacegroup name | P 21 21 21 |
| Unit cell lengths | 41.314, 67.648, 100.021 |
| Unit cell angles | 90.00, 90.00, 90.00 |
Refinement procedure
| Resolution | 40.214 - 1.280 |
| R-factor | 0.1548 |
| Rwork | 0.154 |
| R-free | 0.16720 |
| Structure solution method | MOLECULAR REPLACEMENT |
| Starting model (for MR) | 5nxl |
| RMSD bond length | 0.007 |
| RMSD bond angle | 0.905 |
| Data reduction software | XDS |
| Data scaling software | Aimless (0.5.28) |
| Phasing software | PHASER (2.6.0) |
| Refinement software | PHENIX |
Data quality characteristics
| Overall | Inner shell | Outer shell | |
| Low resolution limit [Å] | 50.010 | 50.010 | 1.300 |
| High resolution limit [Å] | 1.280 | 7.010 | 1.280 |
| Rmerge | 0.065 | 0.024 | 0.746 |
| Rmeas | 0.067 | 0.025 | 0.778 |
| Rpim | 0.019 | 0.007 | 0.215 |
| Total number of observations | 919799 | ||
| Number of reflections | 71599 | ||
| <I/σ(I)> | 25 | ||
| Completeness [%] | 98.1 | 99.8 | 90.4 |
| Redundancy | 12.8 | 11.9 | 12.5 |
| CC(1/2) | 1.000 | 1.000 | 0.865 |
Crystallization Conditions
| crystal ID | method | pH | temperature | details |
| 1 | VAPOR DIFFUSION, SITTING DROP | 293 | MPD, sodium acetate, calcium chloride |
