6QQL
Crystal structure of Porphyromonas gingivalis glutaminyl cyclase
Experimental procedure
| Experimental method | SINGLE WAVELENGTH |
| Source type | ROTATING ANODE |
| Source details | RIGAKU MICROMAX-007 |
| Temperature [K] | 100 |
| Detector technology | CCD |
| Collection date | 2016-05-19 |
| Detector | RIGAKU SATURN 944+ |
| Wavelength(s) | 1.5418 |
| Spacegroup name | P 31 2 1 |
| Unit cell lengths | 89.904, 89.904, 164.696 |
| Unit cell angles | 90.00, 90.00, 120.00 |
Refinement procedure
| Resolution | 44.952 - 2.814 |
| R-factor | 0.2197 |
| Rwork | 0.217 |
| R-free | 0.27570 |
| Structure solution method | MOLECULAR REPLACEMENT |
| Starting model (for MR) | 3si0 |
| Data reduction software | XDS |
| Data scaling software | XSCALE |
| Phasing software | PHASER (2.5.7) |
| Refinement software | PHENIX |
Data quality characteristics
| Overall | Inner shell | Outer shell | |
| Low resolution limit [Å] | 44.952 | 44.952 | 2.980 |
| High resolution limit [Å] | 2.810 | 8.310 | 2.810 |
| Rmerge | 0.335 | 0.076 | 1.068 |
| Rmeas | 0.391 | 0.088 | 1.242 |
| Number of reflections | 35878 | 1400 | 5794 |
| <I/σ(I)> | 4.41 | 14.4 | 1.25 |
| Completeness [%] | 99.3 | 99.1 | 98.7 |
| Redundancy | 3.935 | 3.946 | 3.9 |
| CC(1/2) | 0.928 | 0.994 | 0.444 |
Crystallization Conditions
| crystal ID | method | pH | temperature | details |
| 1 | VAPOR DIFFUSION, HANGING DROP | 8 | 288.15 | HEPES pH 8.0, PEG 400, ammonium sulfate |
