5O22
E. coli FolD in complex with carolacton
Experimental procedure
| Experimental method | SINGLE WAVELENGTH |
| Source type | SYNCHROTRON |
| Source details | ESRF BEAMLINE MASSIF-3 |
| Synchrotron site | ESRF |
| Beamline | MASSIF-3 |
| Temperature [K] | 100 |
| Detector technology | PIXEL |
| Collection date | 2016-09-23 |
| Detector | DECTRIS EIGER X 16M |
| Wavelength(s) | 0.9677 |
| Spacegroup name | P 1 21 1 |
| Unit cell lengths | 99.640, 81.016, 100.935 |
| Unit cell angles | 90.00, 112.95, 90.00 |
Refinement procedure
| Resolution | 45.876 - 2.100 |
| R-factor | 0.1763 |
| Rwork | 0.175 |
| R-free | 0.20560 |
| Structure solution method | MOLECULAR REPLACEMENT |
| Starting model (for MR) | 1dia |
| RMSD bond length | 0.005 |
| RMSD bond angle | 0.712 |
| Data reduction software | XDS |
| Data scaling software | SCALEPACK |
| Phasing software | PHASER |
| Refinement software | PHENIX ((1.11.1_2575: ???)) |
Data quality characteristics
| Overall | Outer shell | |
| Low resolution limit [Å] | 92.950 | 2.210 |
| High resolution limit [Å] | 2.100 | 2.100 |
| Rmerge | 0.600 | |
| Number of reflections | 86516 | |
| <I/σ(I)> | 10.4 | 2.5 |
| Completeness [%] | 98.9 | 99.8 |
| Redundancy | 4.4 | 4.5 |
Crystallization Conditions
| crystal ID | method | pH | temperature | details |
| 1 | VAPOR DIFFUSION, SITTING DROP | 293 | 0.2 M sodium acetate, 0.1 M sodium cacodylate pH 6.5 and 30 % (w/v) PEG 8000 |
