8FRB
Mouse acidic mammalian chitinase, catalytic domain in complex with N,N'-diacetylchitobiose at pH 5.25
Experimental procedure
Experimental method | SINGLE WAVELENGTH |
Source type | SYNCHROTRON |
Source details | ALS BEAMLINE 8.3.1 |
Synchrotron site | ALS |
Beamline | 8.3.1 |
Temperature [K] | 100 |
Detector technology | PIXEL |
Collection date | 2021-06-15 |
Detector | DECTRIS PILATUS3 6M |
Wavelength(s) | 1.11578 |
Spacegroup name | P 21 21 21 |
Unit cell lengths | 91.926, 106.963, 146.492 |
Unit cell angles | 90.00, 90.00, 90.00 |
Refinement procedure
Resolution | 57.290 - 1.700 |
R-factor | 0.1441 |
Rwork | 0.142 |
R-free | 0.17770 |
Structure solution method | MOLECULAR REPLACEMENT |
RMSD bond length | 0.006 |
RMSD bond angle | 0.918 |
Data reduction software | xia2 (0.3.8.0) |
Data scaling software | DIALS (2.2.10-g6dafd9427-release) |
Phasing software | PHASER (2.8.3) |
Refinement software | PHENIX (1.20.1_4487) |
Data quality characteristics
Overall | Outer shell | |
Low resolution limit [Å] | 57.290 | 1.761 |
High resolution limit [Å] | 1.700 | 1.700 |
Rmerge | 0.111 | 0.559 |
Rmeas | 0.121 | 0.610 |
Rpim | 0.047 | 0.241 |
Number of reflections | 158679 | 15679 |
<I/σ(I)> | 9.09 | 3.1 |
Completeness [%] | 99.9 | 99.88 |
Redundancy | 6.4 | 6.3 |
CC(1/2) | 0.997 | 0.888 |
Crystallization Conditions
crystal ID | method | pH | temperature | details |
1 | VAPOR DIFFUSION, HANGING DROP | 5.25 | 293.15 | 11 mg/mL AMCase catalytic domain 20% w/v PEG 6000 0.1 M Sodium Acetate pH 5.25 0.2 M Magnesium Chloride 19.33 mM GlcNAc2 |