6ER2
Ruminococcus gnavus IT-sialidase CBM40
Experimental procedure
| Experimental method | SINGLE WAVELENGTH |
| Source type | ROTATING ANODE |
| Source details | RIGAKU MICROMAX-007 HF |
| Temperature [K] | 100 |
| Detector technology | CCD |
| Collection date | 2014-07-29 |
| Detector | RIGAKU SATURN 944+ |
| Wavelength(s) | 1.54178 |
| Spacegroup name | P 1 21 1 |
| Unit cell lengths | 48.683, 72.745, 51.292 |
| Unit cell angles | 90.00, 104.94, 90.00 |
Refinement procedure
| Resolution | 49.560 - 1.730 |
| R-factor | 0.1614 |
| Rwork | 0.160 |
| R-free | 0.19400 |
| Structure solution method | MOLECULAR REPLACEMENT |
| Starting model (for MR) | 2vw2 |
| RMSD bond length | 0.011 |
| RMSD bond angle | 1.551 |
| Data reduction software | HKL-2000 |
| Data scaling software | SCALEPACK |
| Phasing software | PHASER (2.5.6) |
| Refinement software | REFMAC (5.8.0123) |
Data quality characteristics
| Overall | Inner shell | Outer shell | |
| Low resolution limit [Å] | 50.000 | 50.000 | 1.760 |
| High resolution limit [Å] | 1.730 | 4.690 | 1.730 |
| Rmerge | 0.034 | 0.031 | 0.140 |
| Number of reflections | 33276 | ||
| <I/σ(I)> | 30.7 | ||
| Completeness [%] | 91.8 | 97.8 | 51.3 |
| Redundancy | 3.7 | 3.9 | 2.4 |
Crystallization Conditions
| crystal ID | method | pH | temperature | details |
| 1 | VAPOR DIFFUSION, SITTING DROP | 293 | 0.2M ammonium chloride with 20% PEG 8000 The drop contained 0.5 microlitre protein solution at 25 mg/ml and 0.5 microlitre reservoir solution |
