8GCA
Mouse acidic mammalian chitinase, catalytic domain in complex with N,N',N''-triacetylchitotriose at pH 4.74
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 2 |
Unit cell lengths | 76.066, 91.719, 106.132 |
Unit cell angles | 90.00, 90.00, 90.00 |
Refinement procedure
Resolution | 61.830 - 1.700 |
R-factor | 0.1609 |
Rwork | 0.159 |
R-free | 0.19640 |
Structure solution method | MOLECULAR REPLACEMENT |
RMSD bond length | 0.008 |
RMSD bond angle | 1.050 |
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.refine (1.20.1_4487) |
Data quality characteristics
Overall | Outer shell | |
Low resolution limit [Å] | 61.830 | 1.761 |
High resolution limit [Å] | 1.700 | 1.700 |
Rmerge | 0.181 | 1.138 |
Rmeas | 0.197 | 1.242 |
Rpim | 0.077 | 0.492 |
Number of reflections | 82111 | 8079 |
<I/σ(I)> | 8.83 | 3.12 |
Completeness [%] | 99.7 | 99.42 |
Redundancy | 6.3 | 6 |
CC(1/2) | 0.997 | 0.805 |
Crystallization Conditions
crystal ID | method | pH | temperature | details |
1 | VAPOR DIFFUSION, HANGING DROP | 4.74 | 293.15 | 11 mg/mL AMCase catalytic domain, 20% w/v PEG 6000, 0.1 M Sodium Acetate pH 4.74, 0.2 M Magnesium Chloride, 12.67 mM GlcNAc3 |