8AVQ
AO75L in Complex with UDP-Xylose
Experimental procedure
Experimental method | SINGLE WAVELENGTH |
Source type | SYNCHROTRON |
Source details | DIAMOND BEAMLINE I03 |
Synchrotron site | Diamond |
Beamline | I03 |
Temperature [K] | 100 |
Detector technology | PIXEL |
Collection date | 2020-08-07 |
Detector | DECTRIS PILATUS 6M |
Wavelength(s) | 0.9795 |
Spacegroup name | C 1 2 1 |
Unit cell lengths | 129.285, 130.427, 87.143 |
Unit cell angles | 90.00, 118.01, 90.00 |
Refinement procedure
Resolution | 85.900 - 2.000 |
R-factor | 0.1972 |
Rwork | 0.196 |
R-free | 0.22660 |
Structure solution method | MOLECULAR REPLACEMENT |
Starting model (for MR) | 8asa |
RMSD bond length | 0.003 |
RMSD bond angle | 1.175 |
Data reduction software | XDS |
Data scaling software | XSCALE |
Phasing software | MOLREP |
Refinement software | REFMAC (5.8.0258) |
Data quality characteristics
Overall | Inner shell | Outer shell | |
Low resolution limit [Å] | 85.900 | 85.900 | 2.120 |
High resolution limit [Å] | 2.000 | 5.980 | 2.000 |
Rmerge | 0.089 | 0.032 | 1.049 |
Rmeas | 0.105 | 0.038 | 1.248 |
Total number of observations | 599433 | ||
Number of reflections | 169521 | 6352 | 27093 |
<I/σ(I)> | 10.6 | 35.86 | 1.23 |
Completeness [%] | 99.4 | 98.8 | 98.4 |
Redundancy | 3.536 | 3.605 | 3.368 |
CC(1/2) | 0.997 | 0.998 | 0.425 |
Crystallization Conditions
crystal ID | method | pH | temperature | details |
1 | VAPOR DIFFUSION, SITTING DROP | 8.1 | 291.15 | 0.1M TRIS; 0.1M BICINE, pH 8.1 37.5% Morpheus Precipitant mix4 0.03M CaCl2;0.03M MgCl2 |