8FG5
Apo mouse acidic mammalian chitinase, catalytic domain at 100 K
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 | 2021-04-16 |
Detector | DECTRIS PILATUS3 6M |
Wavelength(s) | 1.11664 |
Spacegroup name | P 1 21 1 |
Unit cell lengths | 60.040, 42.250, 67.410 |
Unit cell angles | 90.00, 95.18, 90.00 |
Refinement procedure
Resolution | 59.790 - 1.300 |
R-factor | 0.1327 |
Rwork | 0.132 |
R-free | 0.15180 |
Structure solution method | MOLECULAR REPLACEMENT |
Starting model (for MR) | 3fxy |
RMSD bond length | 0.006 |
RMSD bond angle | 0.875 |
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 | Inner shell | Outer shell | |
Low resolution limit [Å] | 59.790 | 59.860 | 1.320 |
High resolution limit [Å] | 1.300 | 3.530 | 1.300 |
Rmerge | 0.134 | 0.083 | 2.329 |
Rmeas | 0.137 | 0.084 | 2.382 |
Rpim | 0.027 | 0.017 | 0.493 |
Number of reflections | 83050 | 4311 | 4129 |
<I/σ(I)> | 13.31 | 42.2 | 1.7 |
Completeness [%] | 100.0 | 100 | 100 |
Redundancy | 25.3 | 24.4 | 22.7 |
CC(1/2) | 0.976 | 0.999 | 0.822 |
Crystallization Conditions
crystal ID | method | pH | temperature | details |
1 | VAPOR DIFFUSION, HANGING DROP | 5 | 293.15 | 11 mg/mL AMCase catalytic domain 20% w/v PEG 6000 0.1 M Sodium Acetate pH 5.0 0.2 M Magnesium Chloride |