6S1Y
Crystal structure of Anopheles gambiae AnoACE2 in complex with gamma-Polyglutamic Acid.
Experimental procedure
Experimental method | SINGLE WAVELENGTH |
Source type | SYNCHROTRON |
Source details | DIAMOND BEAMLINE I04 |
Synchrotron site | Diamond |
Beamline | I04 |
Temperature [K] | 100 |
Detector technology | PIXEL |
Collection date | 2018-07-10 |
Detector | DECTRIS PILATUS3 6M |
Wavelength(s) | 0.9795 |
Spacegroup name | P 62 2 2 |
Unit cell lengths | 160.972, 160.972, 121.888 |
Unit cell angles | 90.00, 90.00, 120.00 |
Refinement procedure
Resolution | 91.760 - 2.200 |
R-factor | 0.1954 |
Rwork | 0.194 |
R-free | 0.24110 |
Structure solution method | MOLECULAR REPLACEMENT |
Starting model (for MR) | AnoACE2 homology model |
RMSD bond length | 0.008 |
RMSD bond angle | 0.960 |
Data reduction software | DIALS |
Data scaling software | Aimless |
Phasing software | PHASER |
Refinement software | PHENIX ((1.13_2998: ???)) |
Data quality characteristics
Overall | Outer shell | |
Low resolution limit [Å] | 139.410 | 2.270 |
High resolution limit [Å] | 2.200 | 2.200 |
Rpim | 0.052 | 1.121 |
Number of reflections | 47663 | 4072 |
<I/σ(I)> | 11 | 0.9 |
Completeness [%] | 100.0 | 100 |
Redundancy | 38.2 | 39.2 |
CC(1/2) | 0.998 | 0.551 |
Crystallization Conditions
crystal ID | method | pH | temperature | details |
1 | VAPOR DIFFUSION, SITTING DROP | 7.8 | 291 | 36% v/v polypropylene glycol, 30 mM sodium formate, 10 mM Tris pH 7.8, 0.3 % w/v gamma-PGA, 0.3% w/v PEG 20,000 |