5XUK
Crystal structure of Helicobacter pylori holo-[acyl-carrier-protein] synthase (AcpS) in complex with coenzyme A
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 | 2014-04-15 |
| Detector | ADSC QUANTUM 315 |
| Wavelength(s) | 1.0000 |
| Spacegroup name | P 3 2 1 |
| Unit cell lengths | 93.340, 93.340, 43.020 |
| Unit cell angles | 90.00, 90.00, 120.00 |
Refinement procedure
| Resolution | 30.000 - 2.300 |
| R-factor | 0.23014 |
| Rwork | 0.228 |
| R-free | 0.27709 |
| Structure solution method | MOLECULAR REPLACEMENT |
| Starting model (for MR) | 3hyk |
| RMSD bond length | 0.009 |
| RMSD bond angle | 1.374 |
| 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] | 46.670 | 2.420 |
| High resolution limit [Å] | 2.300 | 2.300 |
| Rmerge | 0.063 | 0.384 |
| Rpim | 0.034 | 0.217 |
| Number of reflections | 9185 | 1282 |
| <I/σ(I)> | 11.1 | 2.8 |
| Completeness [%] | 94.0 | 91.4 |
| Redundancy | 4.1 | 4 |
Crystallization Conditions
| crystal ID | method | pH | temperature | details |
| 1 | VAPOR DIFFUSION, SITTING DROP | 291 | 28% ethylene glycol |
