6PZ2
Crystal Structure of FolP (dihydropteroate synthase) from Colstridium difficile in the presence of pteroic acid
Experimental procedure
| Experimental method | SINGLE WAVELENGTH |
| Source type | SYNCHROTRON |
| Source details | APS BEAMLINE 19-BM |
| Synchrotron site | APS |
| Beamline | 19-BM |
| Temperature [K] | 100 |
| Detector technology | CCD |
| Collection date | 2018-06-06 |
| Detector | ADSC QUANTUM 210r |
| Wavelength(s) | 0.99861 |
| Spacegroup name | P 63 2 2 |
| Unit cell lengths | 156.258, 156.258, 84.708 |
| Unit cell angles | 90.00, 90.00, 120.00 |
Refinement procedure
| Resolution | 37.560 - 2.000 |
| R-factor | 0.1895 |
| Rwork | 0.188 |
| R-free | 0.22380 |
| Structure solution method | MOLECULAR REPLACEMENT |
| Starting model (for MR) | 4hb7 |
| RMSD bond length | 0.010 |
| RMSD bond angle | 1.753 |
| Data reduction software | HKL-3000 |
| Data scaling software | HKL-3000 |
| Phasing software | PHASER |
| Refinement software | REFMAC (5.8.0222) |
Data quality characteristics
| Overall | Outer shell | |
| Low resolution limit [Å] | 50.000 | 2.030 |
| High resolution limit [Å] | 2.000 | 2.000 |
| Rmerge | 0.098 | 0.454 |
| Number of reflections | 41365 | 2026 |
| <I/σ(I)> | 45.4 | 4.3 |
| Completeness [%] | 99.2 | 99.5 |
| Redundancy | 13 | 7.7 |
Crystallization Conditions
| crystal ID | method | pH | temperature | details |
| 1 | VAPOR DIFFUSION, HANGING DROP | 9 | 293 | 2.4-2.6 M ammonium sulfate, 200 mM LiCl, 100 mM CHES (pH 9), 4 mM pteroic acid |
