7ODJ
Exo-mannosidase from Cellvibrio mixtus bound to N-alkyl mannocyclophellitol aziridine
This is a non-PDB format compatible entry.
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 | 2021-04-24 |
Detector | DECTRIS EIGER2 XE 16M |
Wavelength(s) | 0.97629 |
Spacegroup name | P 21 21 2 |
Unit cell lengths | 91.815, 102.230, 50.680 |
Unit cell angles | 90.00, 90.00, 90.00 |
Refinement procedure
Resolution | 68.403 - 1.300 |
Rwork | 0.125 |
R-free | 0.15770 |
Structure solution method | MOLECULAR REPLACEMENT |
Starting model (for MR) | 1uuq |
RMSD bond length | 0.015 |
RMSD bond angle | 1.917 |
Data reduction software | XDS |
Data scaling software | Aimless (0.7.4) |
Phasing software | MOLREP |
Refinement software | REFMAC (5.8.0267) |
Data quality characteristics
Overall | Inner shell | Outer shell | |
Low resolution limit [Å] | 68.403 | 68.310 | 1.320 |
High resolution limit [Å] | 1.300 | 7.120 | 1.300 |
Rmerge | 0.116 | 0.041 | 0.800 |
Rmeas | 0.121 | 0.043 | 0.998 |
Rpim | 0.035 | 0.011 | 0.586 |
Number of reflections | 116329 | 844 | 4839 |
<I/σ(I)> | 21.3 | ||
Completeness [%] | 98.8 | 99.8 | 84.9 |
Redundancy | 21.5 | 24.4 | 4.8 |
CC(1/2) | 0.999 | 0.999 | 0.631 |
Crystallization Conditions
crystal ID | method | pH | temperature | details |
1 | VAPOR DIFFUSION, SITTING DROP | 4.6 | 293 | 0.2 M ammonium sulfate, 24% PEG4000 |