8X2V
Crystal structure of the ancestral GH19 chitinase, Anc4+LoopII (P12K/N13H mutant)
Experimental procedure
Experimental method | SINGLE WAVELENGTH |
Source type | SYNCHROTRON |
Source details | SPRING-8 BEAMLINE BL32XU |
Synchrotron site | SPring-8 |
Beamline | BL32XU |
Temperature [K] | 100 |
Detector technology | PIXEL |
Collection date | 2023-07-29 |
Detector | DECTRIS EIGER X 16M |
Wavelength(s) | 1.0 |
Spacegroup name | P 2 21 21 |
Unit cell lengths | 37.290, 69.830, 70.270 |
Unit cell angles | 90.00, 90.00, 90.00 |
Refinement procedure
Resolution | 49.530 - 1.290 |
R-factor | 0.1716 |
Rwork | 0.171 |
R-free | 0.18600 |
Structure solution method | MOLECULAR REPLACEMENT |
RMSD bond length | 0.007 |
RMSD bond angle | 0.958 |
Data reduction software | XDS |
Data scaling software | XSCALE |
Phasing software | PHASER (1.20.1_4487) |
Refinement software | PHENIX (1.20.1_4487) |
Data quality characteristics
Overall | Outer shell | |
Low resolution limit [Å] | 49.530 | 1.290 |
High resolution limit [Å] | 1.290 | 1.290 |
Number of reflections | 47133 | 47133 |
<I/σ(I)> | 12.87 | |
Completeness [%] | 100.0 | |
Redundancy | 33.1 | |
CC(1/2) | 0.998 | 0.997 |
Crystallization Conditions
crystal ID | method | pH | temperature | details |
1 | VAPOR DIFFUSION, SITTING DROP | 293 | 1 uL of Anc4+Loop II+p12K/n13H (6.0 mg/mL in 10 mM sodium acetate pH 5.0, 150 mM NaCl) + 1 uL of 25% (w/v) polyethylene glycol 3350, 0.1 M Bis-Tris, pH 6.5 |