5XUM
Crystal structure of Thermotoga maritima holo-[acyl-carrier-protein] synthase (AcpS)
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 63 |
| Unit cell lengths | 72.960, 72.960, 84.220 |
| Unit cell angles | 90.00, 90.00, 120.00 |
Refinement procedure
| Resolution | 63.180 - 2.100 |
| R-factor | 0.17167 |
| Rwork | 0.169 |
| R-free | 0.22136 |
| Structure solution method | MOLECULAR REPLACEMENT |
| Starting model (for MR) | 1f80 |
| RMSD bond length | 0.005 |
| RMSD bond angle | 0.874 |
| 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] | 63.185 | 2.210 |
| High resolution limit [Å] | 2.100 | 2.100 |
| Rmerge | 0.080 | 0.585 |
| Rpim | 0.038 | 0.272 |
| Number of reflections | 14645 | 2146 |
| <I/σ(I)> | 11 | 3.1 |
| Completeness [%] | 98.2 | 98.8 |
| Redundancy | 5.4 | 5.5 |
Crystallization Conditions
| crystal ID | method | pH | temperature | details |
| 1 | EVAPORATION | 8 | 277 | 10mM Tris-HCl pH 8.0, 100mM NaCl, 10mM MgCl2 |
