7KVY
Crystal Structure of Acetyl-CoA synthetase in complex with adenosine-5'-ethylphosphate and Co-enzyme A from Coccidioides immitis RS
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 | 2020-09-24 |
Detector | RAYONIX MX-300 |
Wavelength(s) | 0.97872 |
Spacegroup name | P 63 |
Unit cell lengths | 106.940, 106.940, 115.960 |
Unit cell angles | 90.00, 90.00, 120.00 |
Refinement procedure
Resolution | 46.310 - 1.900 |
R-factor | 0.164 |
Rwork | 0.163 |
R-free | 0.19300 |
Structure solution method | MOLECULAR REPLACEMENT |
Starting model (for MR) | 7kcp |
RMSD bond length | 0.007 |
RMSD bond angle | 0.827 |
Data reduction software | XDS |
Data scaling software | XSCALE |
Phasing software | PHENIX |
Refinement software | PHENIX (1.19RC4_4035) |
Data quality characteristics
Overall | Outer shell | |
Low resolution limit [Å] | 50.000 | 1.950 |
High resolution limit [Å] | 1.900 | 1.900 |
Rmerge | 0.053 | 0.860 |
Number of reflections | 59143 | |
<I/σ(I)> | 18.29 | 2.09 |
Completeness [%] | 100.0 | 100 |
Redundancy | 5.7 |
Crystallization Conditions
crystal ID | method | pH | temperature | details |
1 | VAPOR DIFFUSION, SITTING DROP | 7 | 287 | Optimization conditions around RigakuReagents JCSG H3: 18.32@ PEG3,350, 0.2M Lithium acetate; CoimA.00629.a.FS11.PD00401 at 10 mg/mL + 1mM TCEP (added first) + 1mM adenosine-5'-ethylphosphate + 1mM Co-EnzymeA; Cryo: 20% ethylene glycol; tray 317944f5, puck dzd7-5. |