8JQ6
Crystal structure of Lactobacillus rhamnosus L-rhamnose isomerase in complex with D-allose
Experimental procedure
Experimental method | SINGLE WAVELENGTH |
Source type | SYNCHROTRON |
Source details | PHOTON FACTORY BEAMLINE AR-NW12A |
Synchrotron site | Photon Factory |
Beamline | AR-NW12A |
Temperature [K] | 100 |
Detector technology | PIXEL |
Collection date | 2020-11-19 |
Detector | DECTRIS PILATUS3 S 2M |
Wavelength(s) | 1.0 |
Spacegroup name | P 21 21 21 |
Unit cell lengths | 89.934, 140.057, 147.470 |
Unit cell angles | 90.00, 90.00, 90.00 |
Refinement procedure
Resolution | 46.430 - 1.710 |
R-factor | 0.14203 |
Rwork | 0.140 |
R-free | 0.18702 |
Structure solution method | MOLECULAR REPLACEMENT |
RMSD bond length | 0.005 |
RMSD bond angle | 1.222 |
Data reduction software | XDS |
Data scaling software | Aimless |
Phasing software | MOLREP |
Refinement software | REFMAC (5.8) |
Data quality characteristics
Overall | Outer shell | |
Low resolution limit [Å] | 49.160 | 1.740 |
High resolution limit [Å] | 1.710 | 1.710 |
Rmerge | 0.148 | 1.338 |
Rmeas | 0.154 | 1.393 |
Rpim | 0.042 | 0.386 |
Total number of observations | 2640827 | 124747 |
Number of reflections | 200687 | 9801 |
<I/σ(I)> | 12.6 | 2.1 |
Completeness [%] | 100.0 | |
Redundancy | 13.2 | 12.7 |
CC(1/2) | 0.998 | 0.700 |
Crystallization Conditions
crystal ID | method | pH | temperature | details |
1 | VAPOR DIFFUSION, SITTING DROP | 6.5 | 293 | PEG550MME, MES |