8QOC
Crystal structure of Staphylococcus aureus PLP Synthase (Pdx1)
Experimental procedure
| Experimental method | SINGLE WAVELENGTH |
| Source type | SYNCHROTRON |
| Source details | PETRA III, DESY BEAMLINE P11 |
| Synchrotron site | PETRA III, DESY |
| Beamline | P11 |
| Temperature [K] | 100 |
| Detector technology | PIXEL |
| Collection date | 2019-09-24 |
| Detector | DECTRIS PILATUS 6M |
| Wavelength(s) | 1.0332 |
| Spacegroup name | H 3 2 |
| Unit cell lengths | 192.419, 192.419, 448.198 |
| Unit cell angles | 90.00, 90.00, 120.00 |
Refinement procedure
| Resolution | 49.800 - 2.830 |
| R-factor | 0.205 |
| Rwork | 0.202 |
| R-free | 0.26020 |
| Structure solution method | MOLECULAR REPLACEMENT |
| RMSD bond length | 0.008 |
| RMSD bond angle | 0.990 |
| Data reduction software | XDS |
| Data scaling software | SCALA |
| Phasing software | PHENIX (1.20.1_4487) |
| Refinement software | PHENIX (1.20.1_4487) |
Data quality characteristics
| Overall | Outer shell | |
| Low resolution limit [Å] | 49.800 | 2.928 |
| High resolution limit [Å] | 2.827 | 2.827 |
| Rmerge | 0.108 | |
| Number of reflections | 76173 | 7248 |
| <I/σ(I)> | 16.04 | 3.54 |
| Completeness [%] | 99.6 | 98.36 |
| Redundancy | 10.3 | |
| CC(1/2) | 0.999 | 0.954 |
Crystallization Conditions
| crystal ID | method | pH | temperature | details |
| 1 | VAPOR DIFFUSION, SITTING DROP | 8.5 | 293 | 0.1M Tris base (Bicine), NaNO3, NA2HPO4, (NH4)2SO4, P550MME-P20K 30% |
