7KQ6
Crystal Structure of Acetyl-coenzyme A synthetase from Coccidioides immitis in complex with PRX
Experimental procedure
Experimental method | SINGLE WAVELENGTH |
Source type | SYNCHROTRON |
Source details | APS BEAMLINE 21-ID-F |
Synchrotron site | APS |
Beamline | 21-ID-F |
Temperature [K] | 100 |
Detector technology | CCD |
Collection date | 2019-11-14 |
Detector | RAYONIX MX-300 |
Wavelength(s) | 0.97872 |
Spacegroup name | P 1 21 1 |
Unit cell lengths | 106.980, 116.080, 107.330 |
Unit cell angles | 90.00, 119.75, 90.00 |
Refinement procedure
Resolution | 46.590 - 1.800 |
R-factor | 0.1618 |
Rwork | 0.162 |
R-free | 0.18460 |
Structure solution method | MOLECULAR REPLACEMENT |
Starting model (for MR) | 7kcp |
RMSD bond length | 0.007 |
RMSD bond angle | 0.791 |
Data reduction software | XDS |
Data scaling software | XSCALE |
Phasing software | PHASER (2.8.3) |
Refinement software | PHENIX (1.19rc4-4035) |
Data quality characteristics
Overall | Inner shell | Outer shell | |
Low resolution limit [Å] | 50.000 | 50.000 | 1.850 |
High resolution limit [Å] | 1.800 | 8.050 | 1.800 |
Rmerge | 0.048 | 0.017 | 0.545 |
Rmeas | 0.057 | 0.020 | 0.656 |
Number of reflections | 201793 | 2138 | 15201 |
<I/σ(I)> | 15.73 | 50.8 | 2.1 |
Completeness [%] | 95.8 | 86.7 | 97.9 |
Redundancy | 3.066 | 3.185 | 2.989 |
CC(1/2) | 0.999 | 0.999 | 0.744 |
Crystallization Conditions
crystal ID | method | pH | temperature | details |
1 | VAPOR DIFFUSION, SITTING DROP | 6.2 | 287 | CoimA.00629.a.FS11.PD00400 [Barcode: 313284h5, PuckID: ejj3-8, Cryo: 20% EG, Concentration: 10 mg/mL] 200 mM Potassium chloride, 20% (w/v) PEG 3350 |