7CJG
Structural and kinetic characterization of Porphyromonas gingivalis glutaminyl cyclase
Experimental procedure
| Experimental method | SINGLE WAVELENGTH |
| Source type | SEALED TUBE |
| Source details | BRUKER IMUS MICROFOCUS |
| Temperature [K] | 150 |
| Detector technology | PIXEL |
| Collection date | 2020-06-22 |
| Detector | Bruker PHOTON II |
| Wavelength(s) | 1.54184 |
| Spacegroup name | P 31 2 1 |
| Unit cell lengths | 91.117, 91.117, 165.063 |
| Unit cell angles | 90.00, 90.00, 120.00 |
Refinement procedure
| Resolution | 32.060 - 2.000 |
| R-factor | 0.18 |
| Rwork | 0.179 |
| R-free | 0.21500 |
| Structure solution method | MOLECULAR REPLACEMENT |
| Starting model (for MR) | 7cje |
| RMSD bond length | 0.003 |
| RMSD bond angle | 0.576 |
| Data reduction software | XDS |
| Data scaling software | XSCALE |
| Phasing software | PHASER |
| Refinement software | PHENIX (1.12_2829) |
Data quality characteristics
| Overall | Outer shell | |
| Low resolution limit [Å] | 45.560 | 2.070 |
| High resolution limit [Å] | 2.000 | 2.000 |
| Rmerge | 0.206 | 1.565 |
| Number of reflections | 103509 | 5383 |
| <I/σ(I)> | 27.83 | 1.76 |
| Completeness [%] | 99.9 | 100 |
| Redundancy | 24 | 15.1 |
Crystallization Conditions
| crystal ID | method | pH | temperature | details |
| 1 | VAPOR DIFFUSION, HANGING DROP | 8 | 287.15 | Purified PgQC was concentrated up to 50 mg/ml and it was mixed in a 1:0.7 volume ratio with the crystallization buffer 0.1 M TRIS pH 8.0, 0.3 M MgNO3(H2O)6, 24% (w/v) PEG8000) incubating at 14 C |
