6RD1
Ruminococcus gnavus sialic acid aldolase catalytic lysine mutant in complex with sialic acid
Experimental procedure
| Experimental method | SINGLE WAVELENGTH |
| Source type | SYNCHROTRON |
| Source details | DIAMOND BEAMLINE I04 |
| Synchrotron site | Diamond |
| Beamline | I04 |
| Temperature [K] | 100 |
| Detector technology | PIXEL |
| Collection date | 2018-05-01 |
| Detector | DECTRIS PILATUS 6M-F |
| Wavelength(s) | 0.9795 |
| Spacegroup name | C 1 2 1 |
| Unit cell lengths | 95.050, 121.740, 74.470 |
| Unit cell angles | 90.00, 119.49, 90.00 |
Refinement procedure
| Resolution | 68.430 - 1.892 |
| R-factor | 0.19 |
| Rwork | 0.188 |
| R-free | 0.23000 |
| Structure solution method | MOLECULAR REPLACEMENT |
| Starting model (for MR) | 6rab |
| RMSD bond length | 0.010 |
| RMSD bond angle | 1.090 |
| Data reduction software | XDS |
| Data scaling software | Aimless (0.6.2) |
| Phasing software | PHASER |
| Refinement software | BUSTER |
Data quality characteristics
| Overall | Inner shell | Outer shell | |
| Low resolution limit [Å] | 68.431 | 68.431 | 2.145 |
| High resolution limit [Å] | 1.892 | 6.257 | 1.892 |
| Rmerge | 0.117 | 0.039 | 1.006 |
| Rmeas | 0.128 | 0.043 | 1.095 |
| Rpim | 0.051 | 0.018 | 0.429 |
| Number of reflections | 31874 | 1594 | 1595 |
| <I/σ(I)> | 7.7 | 30.7 | 1.8 |
| Completeness [%] | 54.3 | 95.9 | 8.7 |
| Redundancy | 6.2 | 5.9 | 6.2 |
| CC(1/2) | 0.997 | 0.998 | 0.656 |
Crystallization Conditions
| crystal ID | method | pH | temperature | details |
| 1 | VAPOR DIFFUSION, SITTING DROP | 8.5 | 293 | 0.1M Tris/Bicine pH 8.5, 20% ethylene glycol, 10% PEG 8000, soaked with 5mM Neu5Ac prior to plunge freezing |
