7KCP
Crystal structure of Acetyl-CoA Synthetase in Complex with Adenosine-5'-propylphosphate from Coccidioides posadasii C735
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 63 |
Unit cell lengths | 107.170, 107.170, 116.170 |
Unit cell angles | 90.00, 90.00, 120.00 |
Refinement procedure
Resolution | 36.260 - 2.150 |
R-factor | 0.1556 |
Rwork | 0.154 |
R-free | 0.19160 |
Structure solution method | MOLECULAR REPLACEMENT |
Starting model (for MR) | 5ifi |
Data reduction software | XDS |
Data scaling software | XSCALE |
Phasing software | PHASER |
Refinement software | PHENIX (1.18.2_3874) |
Data quality characteristics
Overall | Inner shell | Outer shell | |
Low resolution limit [Å] | 50.000 | 50.000 | 2.210 |
High resolution limit [Å] | 2.150 | 9.620 | 2.150 |
Rmerge | 0.081 | 0.036 | 0.581 |
Rmeas | 0.085 | 0.039 | 0.616 |
Number of reflections | 41158 | 481 | 3025 |
<I/σ(I)> | 20.04 | 52.45 | 4.2 |
Completeness [%] | 100.0 | 99 | 100 |
Redundancy | 9 | ||
CC(1/2) | 0.999 | 0.998 | 0.905 |
Crystallization Conditions
crystal ID | method | pH | temperature | details |
1 | VAPOR DIFFUSION, SITTING DROP | 7.5 | 287 | RigakuReagents Morpheus screen, a6:10% w/v PEG 8000, 20% v/v ethylene glycol, 0.03M divalent cations (MgCl2, CaCl2), 0.1M MOPS/HEPES-Na pH7.5; CopoA.00629.a.FS11.PD00403 at 10 mg/ml, 1mM TCEP, 1mM BSI5663/Propyl-AMP; cryo: direct; tray 313285a6, puck ejj3-4 |