9PCS
Crystal structure of Dihydrodipicolinate Synthase from Mycobacterium tuberculosis in complex with pyruvate
Experimental procedure
| Experimental method | SINGLE WAVELENGTH |
| Source type | SYNCHROTRON |
| Source details | LNLS SIRIUS BEAMLINE MANACA |
| Synchrotron site | LNLS SIRIUS |
| Beamline | MANACA |
| Temperature [K] | 100 |
| Detector technology | PIXEL |
| Collection date | 2023-08-15 |
| Detector | DECTRIS PILATUS 2M |
| Wavelength(s) | 0.97718 |
| Spacegroup name | P 1 21 1 |
| Unit cell lengths | 95.470, 87.016, 141.059 |
| Unit cell angles | 90.00, 107.19, 90.00 |
Refinement procedure
| Resolution | 47.860 - 1.500 |
| R-factor | 0.1511 |
| Rwork | 0.151 |
| R-free | 0.16850 |
| Structure solution method | MOLECULAR REPLACEMENT |
| RMSD bond length | 0.006 |
| RMSD bond angle | 0.894 |
| Data reduction software | XDS |
| Data scaling software | pointless (1.12.14) |
| Phasing software | PHASER |
| Refinement software | PHENIX ((1.20.1_4487: ???)) |
Data quality characteristics
| Overall | Outer shell | |
| Low resolution limit [Å] | 47.860 | 1.550 |
| High resolution limit [Å] | 1.500 | 1.500 |
| Rmerge | 0.070 | 0.663 |
| Rmeas | 0.080 | 0.732 |
| Rpim | 0.030 | 0.307 |
| Number of reflections | 347369 | 11409 |
| <I/σ(I)> | 13.97 | 2.3 |
| Completeness [%] | 98.5 | 90.76 |
| Redundancy | 6.6 | 5.6 |
| CC(1/2) | 0.999 | 0.742 |
Crystallization Conditions
| crystal ID | method | pH | temperature | details |
| 1 | VAPOR DIFFUSION, HANGING DROP | 8.5 | 291 | 28% PEG4000, 170 mM MgCl2, 100 mM Tris-HCl |
