5XUH
Crystal structure of Escherichia coli holo-[acyl-carrier-protein] synthase (AcpS) D9A mutant in complex with CoA
Experimental procedure
| Experimental method | SINGLE WAVELENGTH |
| Source type | SYNCHROTRON |
| Source details | SSRF BEAMLINE BL17U1 |
| Synchrotron site | SSRF |
| Beamline | BL17U1 |
| Temperature [K] | 100 |
| Detector technology | CCD |
| Collection date | 2014-07-07 |
| Detector | ADSC QUANTUM 315 |
| Wavelength(s) | 0.9785 |
| Spacegroup name | P 43 21 2 |
| Unit cell lengths | 97.800, 97.800, 95.380 |
| Unit cell angles | 90.00, 90.00, 90.00 |
Refinement procedure
| Resolution | 30.000 - 2.020 |
| R-factor | 0.15922 |
| Rwork | 0.157 |
| R-free | 0.20737 |
| Structure solution method | MOLECULAR REPLACEMENT |
| Starting model (for MR) | 3qmn |
| RMSD bond length | 0.006 |
| RMSD bond angle | 1.091 |
| Data reduction software | iMOSFLM |
| Data scaling software | SCALA |
| Phasing software | PHASER |
| Refinement software | REFMAC (5.6.0117) |
Data quality characteristics
| Overall | Outer shell | |
| Low resolution limit [Å] | 48.900 | 2.130 |
| High resolution limit [Å] | 2.020 | 2.020 |
| Rmerge | 0.137 | 0.404 |
| Rpim | 0.080 | 0.113 |
| Number of reflections | 30966 | 4449 |
| <I/σ(I)> | 16.1 | 8 |
| Completeness [%] | 100.0 | 100 |
| Redundancy | 13.9 | 13.5 |
Crystallization Conditions
| crystal ID | method | pH | temperature | details |
| 1 | VAPOR DIFFUSION, SITTING DROP | 8 | 291 | 0.1M Tris-HCl pH 8.0, 18% ethanol |
