8FRA
Mouse acidic mammalian chitinase, catalytic domain in complex with diacetylchitobiose at pH 5.60
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 PILATUS 6M |
Wavelength(s) | 1.11578 |
Spacegroup name | P 21 21 21 |
Unit cell lengths | 92.066, 106.705, 146.570 |
Unit cell angles | 90.00, 90.00, 90.00 |
Refinement procedure
Resolution | 86.270 - 1.950 |
R-factor | 0.1711 |
Rwork | 0.169 |
R-free | 0.20580 |
Structure solution method | MOLECULAR REPLACEMENT |
RMSD bond length | 0.003 |
RMSD bond angle | 0.660 |
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] | 86.270 | 2.020 |
High resolution limit [Å] | 1.950 | 1.950 |
Rmerge | 0.162 | 0.628 |
Rmeas | 0.176 | 0.682 |
Rpim | 0.068 | 0.265 |
Number of reflections | 67775 | 10401 |
<I/σ(I)> | 5.65 | 1.26 |
Completeness [%] | 99.7 | 99.62 |
Redundancy | 6.5 | 6.6 |
CC(1/2) | 0.997 | 0.845 |
Crystallization Conditions
crystal ID | method | pH | temperature | details |
1 | VAPOR DIFFUSION, HANGING DROP | 5.6 | 293.15 | 11 mg/mL AMCase catalytic domain 20% w/v PEG 6000 0.1 M Sodium Acetate pH 5.60 0.2 M Magnesium Chloride 19.33 mM GlcNAc2 |