6S1Z
Crystal structure of Anopheles gambiae AnoACE2 in complex with fosinoprilat
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 | 2018-01-19 |
Detector | DECTRIS PILATUS3 6M |
Wavelength(s) | 0.9795 |
Spacegroup name | P 62 2 2 |
Unit cell lengths | 166.718, 166.718, 117.458 |
Unit cell angles | 90.00, 90.00, 120.00 |
Refinement procedure
Resolution | 72.191 - 2.500 |
R-factor | 0.2962 |
Rwork | 0.294 |
R-free | 0.33650 |
Structure solution method | MOLECULAR REPLACEMENT |
Starting model (for MR) | 6s1y |
RMSD bond length | 0.002 |
RMSD bond angle | 0.497 |
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] | 117.460 | 2.600 |
High resolution limit [Å] | 2.500 | 2.500 |
Rpim | 0.017 | 0.137 |
Number of reflections | 33809 | 3747 |
<I/σ(I)> | 24.8 | 4.7 |
Completeness [%] | 100.0 | 100 |
Redundancy | 77.3 | 79.8 |
CC(1/2) | 1.000 | 0.622 |
Crystallization Conditions
crystal ID | method | pH | temperature | details |
1 | VAPOR DIFFUSION, SITTING DROP | 7.8 | 291 | 43.2% v/v polypropylene glycol,30 mM sodium formate, 10 mM Tri pH 7.8, 0.3 % w/v gamma-PGA, 0.3% w/v PEG 20,000 |