6ER3
Ruminococcus gnavus IT-sialidase CBM40 bound to alpha2,3 sialyllactose
Experimental procedure
| Experimental method | SINGLE WAVELENGTH |
| Source type | ROTATING ANODE |
| Source details | RIGAKU MICROMAX-007 HF |
| Temperature [K] | 100 |
| Detector technology | CCD |
| Collection date | 2015-08-13 |
| Detector | RIGAKU SATURN 944+ |
| Wavelength(s) | 1.54178 |
| Spacegroup name | P 1 21 1 |
| Unit cell lengths | 48.800, 72.350, 51.520 |
| Unit cell angles | 90.00, 105.10, 90.00 |
Refinement procedure
| Resolution | 39.480 - 1.370 |
| R-factor | 0.1512 |
| Rwork | 0.149 |
| R-free | 0.18720 |
| Structure solution method | MOLECULAR REPLACEMENT |
| Starting model (for MR) | 2vw2 |
| RMSD bond length | 0.012 |
| RMSD bond angle | 1.649 |
| Data reduction software | HKL-2000 |
| Data scaling software | XSCALE |
| Phasing software | PHASER (2.5.6) |
| Refinement software | REFMAC |
Data quality characteristics
| Overall | Inner shell | Outer shell | |
| Low resolution limit [Å] | 49.910 | 1.410 | |
| High resolution limit [Å] | 1.370 | 6.130 | 1.370 |
| Rmerge | 0.036 | 0.034 | 0.344 |
| Rmeas | 0.040 | 0.037 | 0.437 |
| Number of reflections | 53954 | 823 | 595 |
| <I/σ(I)> | 22.94 | 58.02 | 2.99 |
| Completeness [%] | 74.3 | 96.6 | 11.1 |
| Redundancy | 4.3 | 2.4 |
Crystallization Conditions
| crystal ID | method | pH | temperature | details |
| 1 | VAPOR DIFFUSION, SITTING DROP | 293 | 0.2M ammonium chloride with 20% PEG 8000 crystal growth time was improved using micro-seeding Crystals were cryoprotected using the crystallisation condition supplemented with 25% (w/w) glycerol |
