7NSN
Multi-domain GH92 alpha-1,2-mannosidase from Neobacillus novalis: mannoimidazole complex
Experimental procedure
Experimental method | SINGLE WAVELENGTH |
Source type | SYNCHROTRON |
Source details | DIAMOND BEAMLINE I04-1 |
Synchrotron site | Diamond |
Beamline | I04-1 |
Temperature [K] | 100 |
Detector technology | PIXEL |
Collection date | 2018-07-28 |
Detector | DECTRIS PILATUS 6M-F |
Wavelength(s) | 0.91587 |
Spacegroup name | P 1 21 1 |
Unit cell lengths | 94.605, 151.937, 114.007 |
Unit cell angles | 90.00, 94.63, 90.00 |
Refinement procedure
Resolution | 47.923 - 2.290 |
Rwork | 0.205 |
R-free | 0.24580 |
Structure solution method | MOLECULAR REPLACEMENT |
Starting model (for MR) | 2wzs |
RMSD bond length | 0.008 |
RMSD bond angle | 1.533 |
Data reduction software | XDS |
Data scaling software | XDS |
Phasing software | MOLREP |
Refinement software | REFMAC (5.8.0267) |
Data quality characteristics
Overall | Inner shell | Outer shell | |
Low resolution limit [Å] | 47.923 | 47.920 | 2.330 |
High resolution limit [Å] | 2.290 | 12.540 | 2.290 |
Rmerge | 0.132 | 0.046 | 0.777 |
Rmeas | 0.186 | 0.064 | 1.090 |
Rpim | 0.131 | 0.046 | 0.763 |
Number of reflections | 141182 | 865 | 7109 |
<I/σ(I)> | 5.1 | 15.5 | 1.1 |
Completeness [%] | 98.1 | 93.9 | 99.5 |
Redundancy | 2.9 | 3.2 | 3 |
CC(1/2) | 0.981 | 0.993 | 0.505 |
Crystallization Conditions
crystal ID | method | pH | temperature | details |
1 | VAPOR DIFFUSION, SITTING DROP | 290 | 21% PEG 3350, 0.1 M bis-Tris-propane pH 6.6, 0.2M sodium citrate, MMS |