7L3P
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 | 107.570, 107.570, 116.480 |
Unit cell angles | 90.00, 90.00, 120.00 |
Refinement procedure
Resolution | 46.580 - 2.100 |
R-factor | 0.161 |
Rwork | 0.160 |
R-free | 0.19500 |
Structure solution method | MOLECULAR REPLACEMENT |
Starting model (for MR) | 7kcp |
RMSD bond length | 0.007 |
RMSD bond angle | 0.794 |
Data reduction software | XDS |
Data scaling software | XSCALE |
Phasing software | PHASER |
Refinement software | PHENIX (V1.19RC4-4035) |
Data quality characteristics
Overall | Outer shell | |
Low resolution limit [Å] | 50.000 | 2.150 |
High resolution limit [Å] | 2.100 | 2.100 |
Rmerge | 0.059 | 0.628 |
Number of reflections | 44619 | |
<I/σ(I)> | 22.95 | 3.72 |
Completeness [%] | 100.0 | 100 |
Redundancy | 8.9 |
Crystallization Conditions
crystal ID | method | pH | temperature | details |
1 | VAPOR DIFFUSION, SITTING DROP | 7 | 287 | RigakuReagents MCSG-1, F11: 0.1M HEPES/NaOH, pH7.5, 0.2M Ammonium sulfate, 25% w/v PEG 3,350; CoimA.00629.a.FS11.PD00401 at 10 mg/mL + 1mM TCEP (added first) + 1mM adenosine-5'-methylphosphate; Cryo: 15% ethylene glycol; tray 317937f11, puck mgf7-5. |