5SUV
Crystal structure of holo-[acyl-carrier-protein] synthase (AcpS) from Neisseria meningitidis in complex with Coenzyme A
Experimental procedure
| Experimental method | SINGLE WAVELENGTH |
| Source type | SYNCHROTRON |
| Source details | AUSTRALIAN SYNCHROTRON BEAMLINE MX2 |
| Synchrotron site | Australian Synchrotron |
| Beamline | MX2 |
| Temperature [K] | 100 |
| Detector technology | CCD |
| Collection date | 2014-06-14 |
| Detector | ADSC QUANTUM 315r |
| Wavelength(s) | 0.951 |
| Spacegroup name | P 21 21 21 |
| Unit cell lengths | 47.507, 92.686, 92.902 |
| Unit cell angles | 90.00, 90.00, 90.00 |
Refinement procedure
| Resolution | 46.343 - 1.750 |
| R-factor | 0.1902 |
| Rwork | 0.188 |
| R-free | 0.22790 |
| Structure solution method | MOLECULAR REPLACEMENT |
| RMSD bond length | 0.008 |
| RMSD bond angle | 0.963 |
| Data reduction software | XDS |
| Data scaling software | Aimless |
| Phasing software | PHASER |
| Refinement software | PHENIX (1.10pre_2104) |
Data quality characteristics
| Overall | Outer shell | |
| Low resolution limit [Å] | 46.343 | 1.780 |
| High resolution limit [Å] | 1.750 | 1.750 |
| Rmerge | 0.059 | 0.331 |
| Number of reflections | 41271 | |
| <I/σ(I)> | 9.8 | 2.3 |
| Completeness [%] | 98.2 | 98.8 |
| Redundancy | 3 | 3 |
| CC(1/2) | 0.995 | 0.895 |
Crystallization Conditions
| crystal ID | method | pH | temperature | details |
| 1 | VAPOR DIFFUSION, HANGING DROP | 296.15 | 200 mM sodium citrate tribasic, 20% PEG3350 |
