6KGU
Crystal structure of Penicillin binding protein 3 (PBP3) from Mycobacterium tuerculosis, complexed with aztreonam
Experimental procedure
| Experimental method | SINGLE WAVELENGTH |
| Source type | SYNCHROTRON |
| Source details | SSRF BEAMLINE BL19U1 |
| Synchrotron site | SSRF |
| Beamline | BL19U1 |
| Temperature [K] | 100 |
| Detector technology | PIXEL |
| Collection date | 2015-09-13 |
| Detector | DECTRIS PILATUS 6M |
| Wavelength(s) | 0.9776 |
| Spacegroup name | C 1 2 1 |
| Unit cell lengths | 96.900, 84.640, 90.220 |
| Unit cell angles | 90.00, 111.95, 90.00 |
Refinement procedure
| Resolution | 44.937 - 2.106 |
| R-factor | 0.1898 |
| Rwork | 0.188 |
| R-free | 0.22960 |
| Structure solution method | MOLECULAR REPLACEMENT |
| RMSD bond length | 0.018 |
| RMSD bond angle | 0.863 |
| Data reduction software | XDS |
| Data scaling software | Aimless |
| Phasing software | PHASER |
| Refinement software | PHENIX (1.10.1_2155) |
Data quality characteristics
| Overall | Outer shell | |
| Low resolution limit [Å] | 44.940 | 2.180 |
| High resolution limit [Å] | 2.100 | 2.100 |
| Number of reflections | 38528 | 3748 |
| <I/σ(I)> | 12.43 | |
| Completeness [%] | 98.0 | |
| Redundancy | 7 |
Crystallization Conditions
| crystal ID | method | pH | temperature | details |
| 1 | EVAPORATION | 7.4 | 293 | PEG 3350, CoCl2, MgCl2, HEPES |
