6RAB
Ruminococcus gnavus sialic acid aldolase Wild Type
Experimental procedure
Experimental method | SINGLE WAVELENGTH |
Source type | SYNCHROTRON |
Source details | DIAMOND BEAMLINE I24 |
Synchrotron site | Diamond |
Beamline | I24 |
Temperature [K] | 100 |
Detector technology | PIXEL |
Collection date | 2017-04-15 |
Detector | DECTRIS PILATUS 6M |
Wavelength(s) | 0.96863 |
Spacegroup name | C 1 2 1 |
Unit cell lengths | 134.766, 120.592, 88.264 |
Unit cell angles | 90.00, 148.38, 90.00 |
Refinement procedure
Resolution | 68.170 - 1.960 |
R-factor | 0.209 |
Rwork | 0.207 |
R-free | 0.25000 |
Structure solution method | MOLECULAR REPLACEMENT |
RMSD bond length | 0.010 |
RMSD bond angle | 1.080 |
Data scaling software | Aimless |
Phasing software | MOLREP |
Refinement software | BUSTER |
Data quality characteristics
Overall | Inner shell | Outer shell | |
Low resolution limit [Å] | 68.173 | 68.170 | 2.190 |
High resolution limit [Å] | 1.960 | 6.180 | 2.060 |
Rmerge | 0.071 | 0.061 | 0.274 |
Rmeas | 0.109 | 0.365 | |
Rpim | 0.074 | 0.060 | 0.249 |
Number of reflections | 26391 | 5548 | 1306 |
<I/σ(I)> | 7.9 | 11.9 | 4 |
Completeness [%] | 52.5 | 99.9 | 5.3 |
Redundancy | 3.2 | 3.2 | 3.3 |
CC(1/2) | 0.991 | 0.989 | 0.899 |
Crystallization Conditions
crystal ID | method | pH | temperature | details |
1 | VAPOR DIFFUSION, SITTING DROP | 6.5 | 293 | 0.2 M 1,6-hexandiol, 0.2 M 1-butanol, 0.2 M 1,2-propanediol, 0.2 M 2-propanol, 0.2 M 1,4-butanediol, 0.2 M 1,3-propanediol, 0.1 M Hepes/MOPS pH 6.5, 20% ethylene glycol, 10% PEG 8000 |