6E8O
Crystal structure of aryl acid adenylating enzyme FscC from Fuscachelin NRPS in complex with AMP
Experimental procedure
| Experimental method | SINGLE WAVELENGTH |
| Source type | SYNCHROTRON |
| Source details | APS BEAMLINE 21-ID-G |
| Synchrotron site | APS |
| Beamline | 21-ID-G |
| Temperature [K] | 100 |
| Detector technology | CCD |
| Collection date | 2014-03-21 |
| Detector | MARMOSAIC 300 mm CCD |
| Wavelength(s) | 0.97857 |
| Spacegroup name | C 1 2 1 |
| Unit cell lengths | 207.034, 51.022, 111.552 |
| Unit cell angles | 90.00, 119.87, 90.00 |
Refinement procedure
| Resolution | 40.887 - 1.700 |
| R-factor | 0.196 |
| Rwork | 0.189 |
| R-free | 0.21580 |
| Structure solution method | MOLECULAR REPLACEMENT |
| Starting model (for MR) | 1mdb |
| RMSD bond length | 0.004 |
| RMSD bond angle | 0.667 |
| Data reduction software | DENZO |
| Data scaling software | SCALEPACK |
| Phasing software | PHASER |
| Refinement software | PHENIX (1.11.1_2575) |
Data quality characteristics
| Overall | Inner shell | Outer shell | |
| Low resolution limit [Å] | 50.000 | 4.610 | 1.730 |
| High resolution limit [Å] | 1.700 | 3.660 | 1.700 |
| Rmerge | 0.124 | 0.060 | 0.580 |
| Total number of observations | 813259 | ||
| Number of reflections | 112137 | 5683 | 5492 |
| <I/σ(I)> | 8.2 | ||
| Completeness [%] | 100.0 | 99.9 | 100 |
| Redundancy | 7.3 | 7.3 | 7 |
Crystallization Conditions
| crystal ID | method | pH | temperature | details |
| 1 | VAPOR DIFFUSION, HANGING DROP | 8.5 | 291.15 | PEG 10000, lithium sulfate, Tris-HCl, DMSO |
