6RB7
Ruminococcus gnavus sialic acid aldolase catalytic lysine mutant
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 | P 1 21 1 |
| Unit cell lengths | 73.181, 121.390, 86.980 |
| Unit cell angles | 90.00, 109.49, 90.00 |
Refinement procedure
| Resolution | 68.990 - 1.600 |
| Rwork | 0.129 |
| R-free | 0.15080 |
| Structure solution method | MOLECULAR REPLACEMENT |
| Starting model (for MR) | 4woq |
| Data reduction software | XDS |
| Data scaling software | Aimless |
| Phasing software | MOLREP |
| Refinement software | REFMAC (5.8.0238) |
Data quality characteristics
| Overall | Outer shell | |
| Low resolution limit [Å] | 68.990 | 1.630 |
| High resolution limit [Å] | 1.600 | 1.600 |
| Rmerge | 0.046 | 0.209 |
| Rmeas | 0.063 | 0.285 |
| Rpim | 0.043 | 0.192 |
| Number of reflections | 187871 | 9303 |
| <I/σ(I)> | 12.5 | 3.7 |
| Completeness [%] | 99.9 | 99.9 |
| Redundancy | 3.2 | 3 |
| CC(1/2) | 0.998 | 0.878 |
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, 100mM MgCl2, 10% PEG 8000 |
