6H8L
Structure of peptidoglycan deacetylase PdaC from Bacillus subtilis
Experimental procedure
| Experimental method | SINGLE WAVELENGTH |
| Source type | SYNCHROTRON |
| Source details | DIAMOND BEAMLINE I02 |
| Synchrotron site | Diamond |
| Beamline | I02 |
| Temperature [K] | 100 |
| Detector technology | PIXEL |
| Collection date | 2016-04-28 |
| Detector | DECTRIS PILATUS 6M-F |
| Wavelength(s) | 0.9796 |
| Spacegroup name | P 21 21 21 |
| Unit cell lengths | 55.346, 61.916, 132.226 |
| Unit cell angles | 90.00, 90.00, 90.00 |
Refinement procedure
| Resolution | 56.070 - 1.540 |
| R-factor | 0.1759 |
| Rwork | 0.175 |
| R-free | 0.19440 |
| Structure solution method | MOLECULAR REPLACEMENT |
| Starting model (for MR) | 2c1g |
| RMSD bond length | 0.005 |
| RMSD bond angle | 0.789 |
| Data reduction software | xia2 |
| Data scaling software | xia2 |
| Phasing software | PHASER |
| Refinement software | PHENIX |
Data quality characteristics
| Overall | Outer shell | |
| Low resolution limit [Å] | 56.070 | 1.590 |
| High resolution limit [Å] | 1.540 | 1.540 |
| Rmerge | 0.088 | 0.814 |
| Rmeas | 0.096 | 0.882 |
| Number of reflections | 67783 | 6689 |
| <I/σ(I)> | 11.39 | 2.04 |
| Completeness [%] | 100.0 | 100 |
| Redundancy | 6.5 | 6.7 |
| CC(1/2) | 0.998 | 0.713 |
Crystallization Conditions
| crystal ID | method | pH | temperature | details |
| 1 | VAPOR DIFFUSION, HANGING DROP | 6.6 | 293 | 0.2 M ammonium tartrate dibasic pH 6.6, 20% (w/v) polyethylene glycol 3.350 |
